WorldWideScience

Sample records for modeling melting transitions

  1. Modelling komatiitic melt accumulation and segregation in the transition zone

    Science.gov (United States)

    Schmeling, H.; Arndt, N.

    2017-08-01

    Komatiites are probably produced in very hot mantle upwellings or plumes. Under such conditions, melting will take place deep within the upper mantle or even within the mantle transition zone. Due to its compressibility at such pressures, melt might be denser than olivine, but would remain buoyant with respect to a peridotitic mantle both above and below the olivine-wadsleyite phase boundary because of the presence of its higher temperature and denser garnet. We studied the physics of melting and melt segregation within hot upwelling mantle passing through the transition zone, with particular emphasis on the effect of depth-dependent density contrasts between melt and ambient mantle. Assuming a 1D plume, we solved the two-phase flow equations of the melt-matrix system accounting for matrix compaction and porosity-dependent shear and bulk viscosity. We assumed a constant ascent velocity and melt generation rate. In a first model series, the level of neutral buoyancy zneutr is assumed to lie above the depth of onset of melting, i.e. there exists a region where dense melt may lag behind the solid phases within the rising plume. Depending on two non-dimensional numbers (accumulation number Ac, compaction resistance number Cr) we find four regimes: 1) time-dependent melt accumulation in standing porosity waves that scale with the compaction length. The lowermost of these waves broadens with time until a high melt accumulation zone is formed in steady state. During this transient solitary porosity waves may cross the depth of neutral density and escape. 2) steady-state weak melt accumulation near zneutr, 3) no melt accumulation due to small density contrast or, 4) high matrix viscosity. In regime 4 the high mantle viscosity prevents the opening of pore space necessary to accumulate melt. In a second series, the rising mantle crosses the olivine-wadsleyite phase boundary, which imposes a jump in density contrast between melt and ambient mantle. A sharp melt porosity

  2. Melting of Transition Metals

    Energy Technology Data Exchange (ETDEWEB)

    Ross, M; Japel, S; Boehler, R

    2005-04-11

    We review the transition melting studies carried out at Mainz, and describe a recently developed model used to explain that the relatively low melting slopes are due to the partially filled d-bands, and the persistence of the pressure induced s-d transition. The basic tenets of the model have now been reconfirmed by new measurements for Cu and Ni. The measurements show that Cu which has a filled 3d-band, has a melt slope that is about 2.5 greater than its neighbor Ni. In the case of Mo, the apparent discrepancy of DAC melting measurements with shock melting can be explained by accounting for the change in melt slope due to the bcc-cp transition observed in the shock studies. The Fe melt curve is revisited. The possible relevance of the Jahn-Teller effect and recently observed transition metal melts with Icosahedral Short-Range Order (ISRO) is discussed.

  3. Flow transitions in model Czochralski GaAs melt

    Institute of Scientific and Technical Information of China (English)

    CHEN Shu-xian; LI Ming-wei

    2006-01-01

    The flow and heat transfer of molten GaAs during Czochralski growth are studied with a time-dependent and three-dimensional turbulent flow model. A transition from axisymmetric flow to non-axisymmetric flow and then back to axisymmetric flow again with increasing the crucible rotation rate is predicted. In the non-axisymmetric regime, the thermal wave induced by the combination of coriolis force, buoyancy and viscous force in the GaAs melt is predicted for the first time. The thermal wave is confirmed to be baroclinic thermal wave. The origin of the transition to non-axisymmetric flow is baroclinic instability. The critical parameters for the transitions are presented, which are quantitatively in agreement with Fein and Preffer's experimental results. The calculated results can be taken as a reference for the growth of GaAs single-crystal of high quality.

  4. Kinetic Pathways of the DNA Melting Transition

    CERN Document Server

    Santos, Aaron

    2012-01-01

    We investigate kinetic pathways of the DNA melting transition using variable-range versions of the Poland-Scheraga (PS) and Peyrard-Dauxois-Bishop (PDB) models of DNA. In the PS model, we construct a phi^4-field theory to calculate the critical droplet profile, the initial growth modes, and the exponent characterizing the divergence of the susceptibility near the spinodal. In the PDB model, we use a mean field analysis to calculate susceptibility exponent. We compare these theoretical results with Monte Carlo and Brownian dynamic simulations on the PS and PDB models, respectively. We find that by increasing the range of interaction, the system can be brought close to a pseudospinodal, and that in this region the nucleating droplet is diffuse in contrast to the compact droplets predicted by classical nucleation theory.

  5. Transition in the fractal geometry of Arctic melt ponds

    Directory of Open Access Journals (Sweden)

    C. Hohenegger

    2012-06-01

    Full Text Available During the Arctic melt season, the sea ice surface undergoes a remarkable transformation from vast expanses of snow covered ice to complex mosaics of ice and melt ponds. Sea ice albedo, a key parameter in climate modeling, is determined by the complex evolution of melt pond configurations. In fact, ice-albedo feedback has played a major role in the recent declines of the summer Arctic sea ice pack. However, understanding melt pond evolution remains a significant challenge to improving climate projections. By analyzing area-perimeter data from hundreds of thousands of melt ponds, we find here an unexpected separation of scales, where pond fractal dimension D transitions from 1 to 2 around a critical length scale of 100 m2 in area. Pond complexity increases rapidly through the transition as smaller ponds coalesce to form large connected regions, and reaches a maximum for ponds larger than 1000 m2 whose boundaries resemble space filling curves with D ≈ 2. These universal features of Arctic melt pond evolution are similar to phase transitions in statistical physics. The results impact sea ice albedo, the transmitted radiation fields under melting sea ice, the heat balance of sea ice and the upper ocean, and biological productivity such as under ice phytoplankton blooms.

  6. Transition in the fractal geometry of Arctic melt ponds

    Directory of Open Access Journals (Sweden)

    C. Hohenegger

    2012-10-01

    Full Text Available During the Arctic melt season, the sea ice surface undergoes a remarkable transformation from vast expanses of snow covered ice to complex mosaics of ice and melt ponds. Sea ice albedo, a key parameter in climate modeling, is determined by the complex evolution of melt pond configurations. In fact, ice–albedo feedback has played a major role in the recent declines of the summer Arctic sea ice pack. However, understanding melt pond evolution remains a significant challenge to improving climate projections. By analyzing area–perimeter data from hundreds of thousands of melt ponds, we find here an unexpected separation of scales, where pond fractal dimension D transitions from 1 to 2 around a critical length scale of 100 m2 in area. Pond complexity increases rapidly through the transition as smaller ponds coalesce to form large connected regions, and reaches a maximum for ponds larger than 1000 m2, whose boundaries resemble space-filling curves, with D ≈ 2. These universal features of Arctic melt pond evolution are similar to phase transitions in statistical physics. The results impact sea ice albedo, the transmitted radiation fields under melting sea ice, the heat balance of sea ice and the upper ocean, and biological productivity such as under ice phytoplankton blooms.

  7. A model for melting of confined DNA

    CERN Document Server

    Werner, E; Ambjörnsson, T; Mehlig, B

    2015-01-01

    When DNA molecules are heated they denature. This occurs locally so that loops of molten single DNA strands form, connected by intact double-stranded DNA pieces. The properties of this "melting" transition have been intensively investigated. Recently there has been a surge of interest in this question, caused by experiments determining the properties of partially bound DNA confined to nanochannels. But how does such confinement affect the melting transition? To answer this question we introduce, and solve a model predicting how confinement affects the melting transition for a simple model system by first disregarding the effect of self-avoidance. We find that the transition is smoother for narrower channels. By means of Monte-Carlo simulations we then show that a model incorporating self-avoidance shows qualitatively the same behaviour and that the effect of confinement is stronger than in the ideal case.

  8. Model of interfacial melting

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Zuckermann, Martin J.

    1987-01-01

    A two-dimensional model is proposed to describe systems with phase transitions which take place in terms of crystalline as well as internal degrees of freedom. Computer simulation of the model shows that the interplay between the two sets of degrees of freedom permits observation of grain-boundar...

  9. Primary Ca-rich Carbonate Melts in the Transition Zone

    Science.gov (United States)

    Walter, M.; Bulanova, G.; Armstrong, L.; Keshav, S.; Blundy, J.; Hinton, R.; Lennie, A.

    2007-12-01

    We present new experimental and geochemical constraints on the origin of composite Ca(Ti,Si)O3 and Ca- rich majorite garnet diamond inclusions from Juina kimberlite, Brazil. The evidence reveals that the inclusions did not form as subsolidus minerals, but instead crystallized directly from calcium-rich carbonate melts during crystallization of the host diamond. Subsolidus Phase Relations. We interpret composite CaSiO3 + CaTiO3 inclusions as exsolution products from a single-phase perovskite (Pv) in the transition zone1. The MgSiO3 component in the bulk CaTiSi-Pv is exceedingly low (<0.2 mol%), unlike experimental observations of Ca-Pv coexisting with either majorite-garnet or Mg-Pv (3-7 mol%) in peridotite or eclogite2,3. Indeed, our new subsolidus phase relations show MgSiO3 increasing substantially in Ca-Pv with increasing CaTiO3- content (20-50 GPa, 2000 K). The Ca-content of the majoritic inclusions are exceptionally high (10-15 wt% CaO), also unlike in peridotite or eclogite (< 7%). Unless bizarre mantle lithologies are invoked, subsolidus paragenesis for these inclusions is effectively precluded. Melting Phase Relations. We present new experiments showing that at transition zone depths, primary melts from carbonated eclogite crystallize CaTi-rich perovskites with composition very like the inclusions, and with exceptionally low MgSiO3 (<0.2 mol%). Liquidus majorite is very calcic (10-20 wt% CaO), spanning the range of garnet inclusions. This evidence indicates that the mineral inclusions crystallized from Ca-rich carbonate melts4. Trace Element Modeling. The trace element chemistry of the inclusions as determined using SIMS techniques support a model in which the inclusions equilibrated with small-degree melts. Overall the inclusions are massively enriched in a range of incompatible trace elements, (e.g. 103 to 104 x CI in perovskite). Based on experimental mineral-melt partitioning data, calculated coexisting melts have features inherited from subducted

  10. Melting of bcc Transition Metals and Icosahedral Clustering

    Energy Technology Data Exchange (ETDEWEB)

    Ross, M; Boehler, R; Japel, S

    2006-05-26

    In contrast to polyvalent metals, transition metals have low melting slopes(dT/dP) that are due to partially filled d-bands that allow for a lowering of liquid phase energy through s-d electron transfer and the formation of local structures. In the case of bcc transition metals we show the apparent discrepancy of DAC melting measurements with shock melting of Mo can be understood by reexamining the shock data for V and Ta and introducing the presence of an icosahedral short range order (ISRO) melt phase.

  11. Transition in the fractal geometry of Arctic melt ponds

    OpenAIRE

    Hohenegger, C.; B. Alali; K. R. Steffen; D. K. Perovich; K. M. Golden

    2012-01-01

    During the Arctic melt season, the sea ice surface undergoes a remarkable transformation from vast expanses of snow covered ice to complex mosaics of ice and melt ponds. Sea ice albedo, a key parameter in climate modeling, is determined by the complex evolution of melt pond configurations. In fact, ice–albedo feedback has played a major role in the recent declines of the summer Arctic sea ice pack. However, understanding melt pond evolution remains a significant challenge to improving climate...

  12. Melting Transition of Directly-Linked Gold Nanoparticle DNA Assembly

    CERN Document Server

    Sun, Y; Kiang, C H

    2005-01-01

    DNA melting and hybridization is a fundamental biological process as well as a crucial step in many modern biotechnology applications. DNA confined on surfaces exhibits different behavior from that in free solutions. The system of DNA-capped gold nanoparticles exhibits unique phase transitions and represents a new class of complex fluids. Depending on the sequence of the DNA, particles can be linked to each other through direct complementary DNA sequences or via a ``linker'' DNA whose sequence is complementary to the sequence attached to the gold nanoparticles. We observed different melting transitions for these two distinct systems.

  13. Viscosity model for aluminosilicate melt

    Directory of Open Access Journals (Sweden)

    Zhang G.H.

    2012-01-01

    Full Text Available The structurally based viscosity model proposed in our previous study is extended to include more components, e.g. SiO2, Al2O3, FeO, MnO, MgO, CaO, Na2O and K2O. A simple method is proposed to calculate the numbers of different types of oxygen ions classified by the different cations they bonded with, which is used to characterize the influence of composition on viscosity. When dealing with the aluminosilicate melts containing several basic oxides, the priority order is established for different cations for charge compensating Al3+ ions, according to the coulombic force between cation and oxygen anion. It is indicated that basic oxides have two paradox influences on viscosity: basic oxide with a higher basicity decreases viscosity more greatly by forming weaker non-bridging oxygen bond; while it increases viscosity more greatly by forming stronger bridging oxygen bond in tetrahedron after charge compensating Al3+ ion. The present model can extrapolate its application range to the system without SiO2. Furthermore, it could also give a satisfy interpretation to the abnormal phenomenon that viscosity increases when adding K2O to CaO-Al2O3-SiO2 melt within a certain composition range.

  14. Multiscale Models of Melting Arctic Sea Ice

    Science.gov (United States)

    2014-09-30

    1 Multiscale Models of Melting Arctic Sea Ice Kenneth M. Golden University of Utah, Department of Mathematics phone: (801) 581-6851...feedback has played a major role in the recent declines of the summer Arctic sea ice pack. However, understanding the evolution of melt ponds and sea...Models of Melting Arctic Sea Ice 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER

  15. Melts of garnet lherzolite: experiments, models and comparison to melts of pyroxenite and carbonated lherzolite

    Science.gov (United States)

    Grove, Timothy L.; Holbig, Eva S.; Barr, Jay A.; Till, Christy B.; Krawczynski, Michael J.

    2013-01-01

    Phase equilibrium experiments on a compositionally modified olivine leucitite from the Tibetan plateau have been carried out from 2.2 to 2.8 GPa and 1,380–1,480 °C. The experiments-produced liquids multiply saturated with spinel and garnet lherzolite phase assemblages (olivine, orthopyroxene, clinopyroxene and spinel ± garnet) under nominally anhydrous conditions. These SiO2-undersaturated liquids and published experimental data are utilized to develop a predictive model for garnet lherzolite melting of compositionally variable mantle under anhydrous conditions over the pressure range of 1.9–6 GPa. The model estimates the major element compositions of garnet-saturated melts for a range of mantle lherzolite compositions and predicts the conditions of the spinel to garnet lherzolite phase transition for natural peridotite compositions at above-solidus temperatures and pressures. We compare our predicted garnet lherzolite melts to those of pyroxenite and carbonated lherzolite and develop criteria for distinguishing among melts of these different source types. We also use the model in conjunction with a published predictive model for plagioclase and spinel lherzolite to characterize the differences in major element composition for melts in the plagioclase, spinel and garnet facies and develop tests to distinguish between melts of these three lherzolite facies based on major elements. The model is applied to understand the source materials and conditions of melting for high-K lavas erupted in the Tibetan plateau, basanite–nephelinite lavas erupted early in the evolution of Kilauea volcano, Hawaii, as well as younger tholeiitic to alkali lavas from Kilauea.

  16. The effect of melt overheating on the melt structure transition and solidified structures of Sn-Bi40 alloy

    Institute of Scientific and Technical Information of China (English)

    CHEN HongSheng; ZU FangQiu; OHEN Jie; ZOU Li; DING GuoHua; HUANG ZhongYue

    2008-01-01

    Evolution of the electrical resistivity of Sn-4Owt%Bi melt with time under different overheating temperatures during isothermal experiments has been studied, and the relationship between different melt state, solidification behavior and solidified structure has also been investigated. The results show that the melt structure transition revealed by the abnormal change of resistivity would take place within a certain holding time just when the holding temperature is above a certain critical, and that the higher the temperature above the critical, the shorter the "incubation period" of the melt structure transition, and the faster the transition speed. The results of solidification experiments suggest that the melt structure transition caused by different holding time at the same temperature can lead to a higher so- lidification undercooling degree, finer grain size and change of microscopic pattern. Further exploration indicates that the solidification undercooling degree can come to a head when the melt is held at the specific temperature for a given time. The functionary mechanism of the phenomena above is also discussed briefly.

  17. The effect of melt overheating on the melt structure transition and solidified structures of Sn-Bi40 alloy

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Evolution of the electrical resistivity of Sn-40wt%Bi melt with time under different overheating temperatures during isothermal experiments has been studied, and the relationship between different melt state, solidification behavior and solidified structure has also been investigated. The results show that the melt structure transition revealed by the abnormal change of resistivity would take place within a certain holding time just when the holding temperature is above a certain critical, and that the higher the temperature above the critical, the shorter the "incubation period" of the melt structure transition, and the faster the transition speed. The results of solidification experiments suggest that the melt structure transition caused by different holding time at the same temperature can lead to a higher so-lidification undercooling degree, finer grain size and change of microscopic pattern. Further exploration indicates that the solidification undercooling degree can come to a head when the melt is held at the specific temperature for a given time. The functionary mechanism of the phenomena above is also discussed briefly.

  18. Solid-solid phase transitions via melting in metals

    Science.gov (United States)

    Pogatscher, S.; Leutenegger, D.; Schawe, J. E. K.; Uggowitzer, P. J.; Löffler, J. F.

    2016-04-01

    Observing solid-solid phase transitions in-situ with sufficient temporal and spatial resolution is a great challenge, and is often only possible via computer simulations or in model systems. Recently, a study of polymeric colloidal particles, where the particles mimic atoms, revealed an intermediate liquid state in the transition from one solid to another. While not yet observed there, this finding suggests that such phenomena may also occur in metals and alloys. Here we present experimental evidence for a solid-solid transition via the formation of a metastable liquid in a `real' atomic system. We observe this transition in a bulk glass-forming metallic system in-situ using fast differential scanning calorimetry. We investigate the corresponding transformation kinetics and discuss the underlying thermodynamics. The mechanism is likely to be a feature of many metallic glasses and metals in general, and may provide further insight into phase transition theory.

  19. The viscosity of planetary tholeiitic melts: A configurational entropy model

    Science.gov (United States)

    Sehlke, Alexander; Whittington, Alan G.

    2016-10-01

    The viscosity (η) of silicate melts is a fundamental physical property controlling mass transfer in magmatic systems. Viscosity can span many orders of magnitude, strongly depending on temperature and composition. Several models are available that describe this dependency for terrestrial melts quite well. Planetary basaltic lavas however are distinctly different in composition, being dominantly alkali-poor, iron-rich and/or highly magnesian. We measured the viscosity of 20 anhydrous tholeiitic melts, of which 15 represent known or estimated surface compositions of Mars, Mercury, the Moon, Io and Vesta, by concentric cylinder and parallel plate viscometry. The planetary basalts span a viscosity range of 2 orders of magnitude at liquidus temperatures and 4 orders of magnitude near the glass transition, and can be more or less viscous than terrestrial lavas. We find that current models under- and overestimate superliquidus viscosities by up to 2 orders of magnitude for these compositions, and deviate even more strongly from measured viscosities toward the glass transition. We used the Adam-Gibbs theory (A-G) to relate viscosity (η) to absolute temperature (T) and the configurational entropy of the system at that temperature (Sconf), which is in the form of log η =Ae +Be /TSconf . Heat capacities (CP) for glasses and liquids of our investigated compositions were calculated via available literature models. We show that the A-G theory is applicable to model the viscosity of individual complex tholeiitic melts containing 10 or more major oxides as well or better than the commonly used empirical equations. We successfully modeled the global viscosity data set using a constant Ae of -3.34 ± 0.22 log units and 12 adjustable sub-parameters, which capture the compositional and temperature dependence on melt viscosity. Seven sub-parameters account for the compositional dependence of Be and 5 for Sconf. Our model reproduces the 496 measured viscosity data points with a 1

  20. Liquid-Liquid Structure Transition in Metallic Melts: Experimental Evidence by Viscosity Measurement

    Institute of Scientific and Technical Information of China (English)

    WANG Yu-Qing; WU Yu-Qin; BIAN Xiu-Fang

    2007-01-01

    Temperature dependence of viscosity for more than ten kinds of metallic melts is analysed based on viscosity measurements. An obvious turning point is observed on the Arrhenius curves. Since viscosity is one of the physical properties sensitive to structure, its discontinuous change with temperature reveals the possible liquidliquid structure transition in the metallic melts. Furthermore, an integrated liquid structure transition diagram of the Sn-Bi system is presented. The universality of liquid-liquid structure transition is also discussed simply.

  1. Conformational Fluctuations of Polymers in a Melt Associated with Glass Transition

    Science.gov (United States)

    Iwaoka, Nobuyuki; Takano, Hiroshi

    2017-03-01

    The conformational fluctuations of a glassy short polymer melt are studied by coarse-grained molecular dynamics simulations and principal component analysis (PCA). The distribution of PCA eigenvalues, which measure static fluctuations of the polymers, shows a clear difference between above and below the conventional glass transition temperature Tg. The approximate conformational entropy of the polymers also indicates a transition near Tg. This is evidence that the static properties of polymers in the melt signal the glass transition.

  2. Dihedral angle of carbonatite melts in mantle residue near the upper mantle and transition zone

    Science.gov (United States)

    Ghosh, S. K.; Rohrbach, A.; Schmidt, M. W.

    2015-12-01

    Carbonate melts are thought to be ideal metasomatic agents in the deep upper mantle (Green & Wallace, 1988) and these melts are low in viscosities (10-1-10-3 Pa·s) compared to primitive basalt (101-102 Pa·s), furthermore the ability to form an interconnected grain-edge melt network at low melt fractions (3 GPa (Dasgupta et al. 2006, Ghosh et al., 2009), dissolve a number of geochemically incompatible elements much better than silicate melts (Blundy and Dalton, 2000). Previous studies of carbonate melt dihedral angles in olivine-dominated matrices yielded 25-30oat 1-3 GPa, relatively independent of melt composition (Watson et al., 1990) and temperature (Hunter and McKenzie, 1989). Dihedral angles of carbonate melts in contact with deep mantle silicate phases (e.g. garnet, wadsleyite, and ringwoodite) which constitute more than 70 % of the deep upper mantle and transition zone have not been studied yet. We have performed multi-anvil experiments on carbonate-bearing peridotites with 5.0 wt% CO2 from 13.5 to 20 GPa 1550 oC to investigate the dihedral angle of magnesio-carbonatite melts in equilibrium with garnet, olivine (and its high-pressure polymorphs), and clinoenstatite. The dihedral angle of carbonate melts in the deep upper mantle and transition zone is ~30° for majorite garnet and olivine (and its polymorphs) dominated matrices. It does not change with increasing pressure in the range 13.5-20 GPa. Our results suggest that very low melt fractions of carbonatite melt forming in the deep upper mantle and transition zone are interconnected at melt fractions less than 0.01. Consistent with geophysical observations, this could possibly explain low velocity regions in the deep mantle and transition zone.

  3. Phase Transition and Melting Curves of Calcium Fluoride via Molecular Dynamics Simulations

    Institute of Scientific and Technical Information of China (English)

    ZENG Zhao-Yi; CHEN Xiang-Rong; ZHU Jun; Hu Cui-E

    2008-01-01

    The phase transition and melting curves of CaF2 are investigated by using the general utility lattice programme(GULP)via the shell model with molecular dynamics method.By calculating the entropy H(at 0K)and Gibbs free energy G*(at 300K),we find that the phase transition pressure from the face-centred cubic(fcc)structure to the orthorhombic structure is 11.40 GPa and 9.33 GPa at 0K and 300K,respectively.The modified melting point of the fcc CaF2 is in the range of 1650-1733K at 0 GPa.All these results are well consistent with the available experimental data and other theoretical results.We also obtain that the melting temperature of hihg pressure phase is 990-1073K at 10 GPa.Moreover,the temperature dependences of the elastic constants Cij,bulk module B and shear module G are also predicted.

  4. Impact of melting snow on the valley flow field and precipitation phase transition

    Science.gov (United States)

    Thériault, Julie M.; Milbrandt, Jason A.; Doyle, Jonathan; Minder, Justin R.; Thompson, Gregory; Sarkadi, Noemi; Geresdi, Istvan

    2015-04-01

    The prediction of precipitation phase and intensity in complex terrain is challenging when the surface temperature is near 0 °C. In calm weather conditions, melting snow often leads to a 0 °C-isothermal layer. The temperature feedback from melting snow generates cold dense air moving downslope, hence altering the dynamics of the storm. A correlation has been commonly observed between the direction of the valley flow and the precipitation phase transition in complex terrain. This study examines the impact of temperature feedback from melting snow on the direction of the valley flow when the temperature is near 0 °C. Semi-idealized two-dimensional simulations using the Weather Research and Forecasting model were conducted for a case of moderate precipitation in the Pacific Coast Ranges. The results demonstrate that the temperature feedbacks caused by melting snow affect the direction of the flow in valleys. Several microphysics schemes (1-moment bulk, 2-moment bulk, and bin), which parameterize snow in different ways, all produced a valley flow reversal but at different rates. Experiments examining sensitivity to the initial prescribed snow mixing ratio aloft were conducted to study the threshold precipitation at which this change in the direction of the valley flow field can occur. All prescribed snow fields produced a change in the valley wind velocity but with different timings. Finally, the evolution of the rain-snow boundary with the different snowfields was also studied and compared with the evolution of the wind speed near the surface. It was found that the change in the direction of the valley flow occurs after the 0 °C isotherm reaches the base of the mountain. Overall this study showed the importance to account for the latent heat exchange from melting snow. This weak temperature feedback can impact, in some specific weather conditions, the valley flow field in a mountainous area.

  5. Structural transition and melting of onion-ring Pd Pt bimetallic clusters

    Science.gov (United States)

    Cheng, Daojian; Cao, Dapeng

    2008-08-01

    We use canonical Monte Carlo simulations to study the melting of icosahedral and decahedral onion-ring Pd-Pt bimetallic clusters consisting of 147 atoms. Structural transition from decahedron to icosahedron-like is found for the decahedral onion-ring 147-atom Pd-Pt cluster before melting. Also, the melting point of the decahedral onion-ring 147-atom Pd-Pt cluster is lower than the corresponding icosahedral cluster. In addition, at the higher temperatures after melting, the four-shell onion-ring structure becomes unstable, and can be transformed into the three-shell onion-like structure.

  6. Femtosecond laser pulse driven melting in gold nanorod aqueous colloidal suspension: identification of a transition from stretched to exponential kinetics.

    Science.gov (United States)

    Li, Yuelin; Jiang, Zhang; Lin, Xiao-Min; Wen, Haidan; Walko, Donald A; Deshmukh, Sanket A; Subbaraman, Ram; Sankaranarayanan, Subramanian K R S; Gray, Stephen K; Ho, Phay

    2015-01-30

    Many potential industrial, medical, and environmental applications of metal nanorods rely on the physics and resultant kinetics and dynamics of the interaction of these particles with light. We report a surprising kinetics transition in the global melting of femtosecond laser-driven gold nanorod aqueous colloidal suspension. At low laser intensity, the melting exhibits a stretched exponential kinetics, which abruptly transforms into a compressed exponential kinetics when the laser intensity is raised. It is found the relative formation and reduction rate of intermediate shapes play a key role in the transition. Supported by both molecular dynamics simulations and a kinetic model, the behavior is traced back to the persistent heterogeneous nature of the shape dependence of the energy uptake, dissipation and melting of individual nanoparticles. These results could have significant implications for various applications such as water purification and electrolytes for energy storage that involve heat transport between metal nanorod ensembles and surrounding solvents.

  7. Quasielastic neutron scattering and molecular dynamics simulation studies of the melting transition in butane and hexane monolayers adsorbed on graphite

    DEFF Research Database (Denmark)

    Hervig, K.W.; Wu, Z.; Dai, P.

    1997-01-01

    Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed on an ex......Quasielastic neutron scattering experiments and molecular dynamics (MD) simulations have been used to investigate molecular diffusive motion near the melting transition of monolayers of flexible rod-shaped molecules. The experiments were conducted on butane and hexane monolayers adsorbed...... comparison with experiment, quasielastic spectra calculated from the MD simulations were analyzed using the same models and fitting algorithms as for the neutron spectra. This combination of techniques gives a microscopic picture of the melting process in these two monolayers which is consistent with earlier...

  8. Modeling the summertime evolution of sea-ice melt ponds

    DEFF Research Database (Denmark)

    Lüthje, Mikael; Feltham, D.L.; Taylor, P.D.;

    2006-01-01

    We present a mathematical model describing the summer melting of sea ice. We simulate the evolution of melt ponds and determine area coverage and total surface ablation. The model predictions are tested for sensitivity to the melt rate of unponded ice, enhanced melt rate beneath the melt ponds......, vertical seepage, and horizontal permeability. The model is initialized with surface topographies derived from laser altimetry corresponding to first-year sea ice and multiyear sea ice. We predict that there are large differences in the depth of melt ponds and the area of coverage between the two types...... of ice. We also find that the vertical seepage rate and the melt rate of unponded ice are important in determining the total surface ablation and area covered by melt ponds....

  9. Modeling the summertime evolution of sea-ice melt ponds

    DEFF Research Database (Denmark)

    Lüthje, Mikael; Feltham, D.L.; Taylor, P.D.

    2006-01-01

    We present a mathematical model describing the summer melting of sea ice. We simulate the evolution of melt ponds and determine area coverage and total surface ablation. The model predictions are tested for sensitivity to the melt rate of unponded ice, enhanced melt rate beneath the melt ponds......, vertical seepage, and horizontal permeability. The model is initialized with surface topographies derived from laser altimetry corresponding to first-year sea ice and multiyear sea ice. We predict that there are large differences in the depth of melt ponds and the area of coverage between the two types...... of ice. We also find that the vertical seepage rate and the melt rate of unponded ice are important in determining the total surface ablation and area covered by melt ponds....

  10. The formation and chemistry of low degree hydrous partial melt on top of the transition zone

    Science.gov (United States)

    Frost, Daniel J.; Mookherjee, Mainak

    2010-05-01

    There is some geophysical evidence for the presence of silicate melt on top of the 410 km seismic discontinuity. It has also been argued that the difference in the water storage capacity of upper mantle versus transition zone minerals may cause dehydration melting as material up-wells across the 410. Studies have proposed that hydrous partial melts may be neutrally buoyant in the mantle at these conditions. In order to assess these possibilities it is important to determine the likely composition of small degree hydrous melts at these conditions and to measure the H2O contents of mantle minerals coexisting with this melt phase. The composition of a hydrous melt in equilibrium with a mantle peridotite composition has been determined at conditions of the 410 and 1450°C. Sandwich experiments were performed where an 'initial-guess' hydrous melt composition was equilibrated with 50% anhydrous peridotite. The resulting melt composition was used to assemble a further melt, which was then equilibrated in the same way. After several iterations it was possible to derive a melt composition, which was in equilibrium with a mineral assemblage identical to that observed for an anhydrous peridotite composition at the same conditions. We assess whether this melt composition could be neutrally buoyant at 410km. The 410 km discontinuity may also correspond to a transition in redox state in the mantle from a reducing transition zone to a less reduced upper mantle. Volatiles may also collect and induce melting at this horizon due to the oxidation of a rising mobile reduced fluid phase containing CH4. Minerals in mantle upwelling out of a hydrous melt layer would be expected to have H2O contents close to saturation; however, this may not be the case if the melt layer also contains other volatile components such as CO2 or CH4, which further lower the H2O activity in the melt. We assess ranges of melt compositions that may be in equilibrium with minerals containing relatively low H2O

  11. A Model for Scrap Melting in Steel Converter

    Science.gov (United States)

    Kruskopf, Ari

    2015-03-01

    A process model for basic oxygen furnace is in development. The full model will include a 2-D axisymmetric turbulent flow model for iron melt, a steel scrap melting model, and a chemical reaction model. A theoretical basis for scrap melting model is introduced in this paper and an in-house implementation of the model is tested in this article independently from the other parts of the full process model. The model calculates a melting curve for the scrap piece and the heat and carbon mass exchange between the melt and the scrap. A temperature and carbon concentration-dependent material data are used for heat capacity, thermal conductivity, and diffusion coefficient. The equations are discretized into a moving grid, which is uncommon in literature in the context of scrap melting. A good agreement is found between the modeling results and experiments from literature. Also a heat transfer correlation for dimensionless Nusselt number is determined using the numerical results.

  12. Coarse grained model of entangled polymer melts

    Science.gov (United States)

    Rakshit, Abhik

    A coarse graining procedure aimed at reproducing both the chain structure and dynamics in entangled polymeric melts is presented. The reference, fine scale system is a beadspring-type representation of the melt. This model is used to calibrate the coarse model for a specific monodisperse melt of linear chains. The coarse model is then used to represent the structure and dynamics of various other systems in thermodynamic equilibrium and non-equilibrium. Extensive comparison with equivalent fine scale models is performed to verify the coarse model. The level of coarse graining is selected equal to the number of beads in the entanglement segment, Ne. The coarse model is discrete and contains blobs each representing Ne consecutive beads in the fine scale model. The mapping is defined by the following conditions: the probability of given state of the coarse system is equal to that of all fine system states compatible with the respective coarse state, the dissipation per coarse grained object is similar in the two systems, constraints to the motion of a representative chain exist in the fine phase space and the coarse phase space is adjusted such to capture them. Specifically, the chain inner blobs are constrained to move along the backbone of the coarse grained chain, while the end blobs move in the 3D embedding space. The end blobs continuously re-define the diffusion path for the inner blobs. The input parameters governing the dynamics of the coarse grained system are calibrated based on the fine scale model behavior. These are the characteristic length scale, Ne, and the effective friction coefficient per coarse grained object. Although the coarse model cannot reproduce the whole thermodynamics of the fine system, it ensures that the pair and end-to-end distribution functions, the rate of relaxation of segmental and end-to-end vectors, the Rouse modes and the diffusion dynamics are properly represented. The model intrinsically captures contour length fluctuations and

  13. PyTransit: Transit light curve modeling

    Science.gov (United States)

    Parviainen, Hannu

    2015-05-01

    PyTransit implements optimized versions of the Giménez and Mandel & Agol transit models for exoplanet transit light-curves. The two models are implemented natively in Fortran with OpenMP parallelization, and are accessed by an object-oriented python interface. PyTransit facilitates the analysis of photometric time series of exoplanet transits consisting of hundreds of thousands of data points, and of multipassband transit light curves from spectrophotometric observations. It offers efficient model evaluation for multicolour observations and transmission spectroscopy, built-in supersampling to account for extended exposure times, and routines to calculate the projected planet-to-star distance for circular and eccentric orbits, transit durations, and more.

  14. Modeling the Temperature Fields of Copper Powder Melting in the Process of Selective Laser Melting

    Science.gov (United States)

    Saprykin, A. A.; Ibragimov, E. A.; Babakova, E. V.

    2016-08-01

    Various process variables influence on the quality of the end product when SLM (Selective Laser Melting) synthesizing items of powder materials. The authors of the paper suggest using the model of distributing the temperature fields when forming single tracks and layers of copper powder PMS-1. Relying on the results of modeling it is proposed to reduce melting of powder particles out of the scanning area.

  15. Viscosity model for fully liquid silicate melt

    Directory of Open Access Journals (Sweden)

    Zhang Guo-Hua

    2012-01-01

    Full Text Available A model for estimating the viscosity of silicate melt as derived in our previous paper is extended to the system containing MgO, CaO, SrO, BaO, Li2O, Na2O, K2O, which can express the nonlinear variation of activation energy of viscosity with the composition. It is found that the optimized parameters of model which characterize the deforming ability of bonds around non-bridging oxygen decrease with increasing the bond strength of M-O bond expressed by I=2Q/RMz+ + rO2-2 (where Q is the valence of cation M; r is the radius. It is pointed out that viscosity is not only determined by the bond strength, but also by the radius of cation which is defined as the size effect. The radius of cation plays paradox roles in the two factors: smaller radius leads to a stronger bond, thus a higher viscosity; while cations with smaller radius are easier to diffuse when neglecting the interaction force, thus a lower viscosity will be.

  16. Analogue models of melt-flow networks in folding migmatites

    Science.gov (United States)

    Barraud, Joseph; Gardien, Véronique; Allemand, Pascal; Grandjean, Philippe

    2004-02-01

    We have modelled the formation and the layer-parallel shortening of layered (stromatic) migmatites. The model consists of thin superposed layers of partially molten microcrystalline wax. The melt (30 vol.%) has a negative buoyancy and a high viscosity contrast with its solid matrix. As soon as the shortening begins, melt-filled veins with high aspect ratios open along foliation. The melt is segregated into the veins, forming a stromatic layering. During incipient folding, crescent-shaped saddle reefs open at the hinges of open sinusoidal folds. Further shortening and melt-enhanced shear displacements on interlayer interfaces cause chevron folds to develop and the saddle reefs to become triangular. In comparison, a melt-free experiment shows only a few layer-parallel openings and no saddle reefs in chevron folds. On the basis of our experimental results, we propose that in migmatites: (1) mesoscale melt migration is a combination of flow in immobile veins and movements of veins as a whole; (2) the changes in the geometry of the mesoscale melt-flow network create the pressure gradients that drive melt migration; (3) the melt-flow network does not need to be fully interconnected to allow local expulsion; (4) melt expulsion is episodic because the temporal evolution of the network combines with the spatial heterogeneity of the deformation.

  17. CFD Modeling of Melt Spreading on the Reactor Cavity Floor

    Energy Technology Data Exchange (ETDEWEB)

    Yeon, Wan Sik; Bang, Kwang Hyun [Korea Maritime University, Busan (Korea, Republic of); Cho, Young Jo; Lee, Jae Gon [Korea Hydro and Nuclear Power Co., Daejeon (Korea, Republic of)

    2010-05-15

    In the very unlikely event of a severe reactor accident involving core melt and reactor pressure vessel failure, it is important to provide an accident management strategy that would allow the molten core material to cool down, resolidify and bring the core debris to a stable coolable state for Light Water Reactors (LWRs). One approach to achieve a stable coolable state is to quench the core melt after its relocation from the reactor pressure vessel into the reactor cavity. This approach typically requires a large cavity floor area on which a large amount of core melt spreads well and forms a shallow melt thickness for small thermal resistance across the melt pool. Spreading of high temperature (approx3000 K), low superheat (approx200 K) core melt over a wide cavity floor has been a key question to the success of the ex-vessel core coolability and it has brought a number of experimental work (CORINE, ECOKATS, VULCANO) and analytical work (CORFLOW, MELTSPREAD, THEMA). These computational models are currently able to predict well the spreading of stimulant materials but yet have shown a limitation for prototypic core melt of UO{sub 2}+ZrO{sub 2} mixture. A computational model for the melt spreading requires a multiphase treatment of liquid melt, solidified melt, and air. Also solidification and thermal radiation physics should be included. The present work uses ANSYS-CFX code to simulate core melt spreading on the reactor cavity. The CFX code is a general-purpose multiphase code and the present work is focused on exploring the code's capability to model melt spreading problem in a step by step approach

  18. Melting and High P-T Transitions of Hydrogen up to 300 GPa.

    Science.gov (United States)

    Zha, Chang-Sheng; Liu, Hanyu; Tse, John S; Hemley, Russell J

    2017-08-18

    High P-T Raman spectra of hydrogen in the vibron and lattice mode regions were measured up to 300 GPa and 900 K using externally heated diamond anvil cell techniques. A new melting line determined from the disappearance of lattice mode excitations was measured directly for the first time above 140 GPa. The results differ from theoretical predictions and extrapolations from lower pressure melting relations. In addition, discontinuities in Raman frequencies are observed as a function of pressure and temperature indicative of phase transition at these conditions. The appearance of a new Raman feature near 2700  cm^{-1} at ∼300  GPa and 370 K indicates the transformation to a new crystalline phase. Theoretical calculations of the spectrum suggest the new phase is the proposed Cmca-4 metallic phase. The transition pressure is close to that of a recently reported transition observed on dynamic compression.

  19. A multi-component evaporation model for beam melting processes

    Science.gov (United States)

    Klassen, Alexander; Forster, Vera E.; Körner, Carolin

    2017-02-01

    In additive manufacturing using laser or electron beam melting technologies, evaporation losses and changes in chemical composition are known issues when processing alloys with volatile elements. In this paper, a recently described numerical model based on a two-dimensional free surface lattice Boltzmann method is further developed to incorporate the effects of multi-component evaporation. The model takes into account the local melt pool composition during heating and fusion of metal powder. For validation, the titanium alloy Ti-6Al-4V is melted by selective electron beam melting and analysed using mass loss measurements and high-resolution microprobe imaging. Numerically determined evaporation losses and spatial distributions of aluminium compare well with experimental data. Predictions of the melt pool formation in bulk samples provide insight into the competition between the loss of volatile alloying elements from the irradiated surface and their advective redistribution within the molten region.

  20. Zircon saturation in silicate melts: a new and improved model for aluminous and alkaline melts

    Science.gov (United States)

    Gervasoni, Fernanda; Klemme, Stephan; Rocha-Júnior, Eduardo R. V.; Berndt, Jasper

    2016-03-01

    The importance of zircon in geochemical and geochronological studies, and its presence not only in aluminous but also in alkaline rocks, prompted us to think about a new zircon saturation model that can be applied in a wide range of compositions. Therefore, we performed zircon crystallization experiments in a range of compositions and at high temperatures, extending the original zircon saturation model proposed by Watson and Harrison (Earth Planet Sci Lett 64:295-304, 1983) and Boehnke et al. (Chem Geol 351:324-334, 2013). We used our new data and the data from previous studies in peraluminous melts, to describe the solubility of zircon in alkaline and aluminous melts. To this effect, we devised a new compositional parameter called G [ {( {3 \\cdot {{Al}}2 {{O}}3 + {{SiO}}2 )/({{Na}}2 {{O}} + {{K}}2 {{O}} + {{CaO}} + {{MgO}} + {{FeO}}} )} ] (molar proportions), which enables to describe the zircon saturation behaviour in a wide range of rock compositions. Furthermore, we propose a new zircon saturation model, which depends basically on temperature and melt composition, given by (with 1σ errors): ln [ {{Zr}} ] = ( {4.29 ± 0.34} ) - ( {1.35 ± 0.10} ) \\cdot ln G + ( {0.0056 ± 0.0002} ) \\cdot T( °C ) where [Zr] is the Zr concentration of the melt in µg/g, G is the new parameter representing melt composition and T is the temperature in degrees Celsius. The advantages of the new model are its straightforward use, with the G parameter being calculated directly from the molar proportions converted from electron microprobe measurements, the temperature calculated given in degrees Celsius and its applicability in a wider range of rocks compositions. Our results confirm the high zircon solubility in peralkaline rocks and its dependence on composition and temperature. Our new model may be applied in all intermediate to felsic melts from peraluminous to peralkaline compositions.

  1. Modeling the viscosity of silicate melts containing manganese oxide

    Directory of Open Access Journals (Sweden)

    Kim Wan-Yi

    2013-01-01

    Full Text Available Our recently developed model for the viscosity of silicate melts is applied to describe and predict the viscosities of oxide melts containing manganese oxide. The model requires three pairs of adjustable parameters that describe the viscosities in three systems: pure MnO, MnO-SiO2 and MnO-Al2O3-SiO2. The viscosity of other ternary and multicomponent silicate melts containing MnO is then predicted by the model without any additional adjustable model parameters. Experimental viscosity data are reviewed for melts formed by MnO with SiO2, Al2O3, CaO, MgO, PbO, Na2O and K2O. The deviation of the available experimental data from the viscosities predicted by the model is shown to be within experimental error limits.

  2. Melting transition in lipid vesicles functionalised by mobile DNA linkers.

    Science.gov (United States)

    Bachmann, Stephan Jan; Kotar, Jurij; Parolini, Lucia; Šarić, Anđela; Cicuta, Pietro; Di Michele, Lorenzo; Mognetti, Bortolo Matteo

    2016-09-20

    We study phase behaviour of lipid-bilayer vesicles functionalised by ligand-receptor complexes made of synthetic DNA by introducing a modelling framework and a dedicated experimental platform. In particular, we perform Monte Carlo simulations that combine a coarse grained description of the lipid bilayer with state of art analytical models for multivalent ligand-receptor interactions. Using density of state calculations, we derive the partition function in pairs of vesicles and compute the number of ligand-receptor bonds as a function of temperature. Numerical results are compared to microscopy and fluorimetry experiments on large unilamellar vesicles decorated by DNA linkers carrying complementary overhangs. We find that vesicle aggregation is suppressed when the total number of linkers falls below a threshold value. Within the model proposed here, this is due to the higher configurational costs required to form inter-vesicle bridges as compared to intra-vesicle loops, which are in turn related to membrane deformability. Our findings and our numerical/experimental methodologies are applicable to the rational design of liposomes used as functional materials and drug delivery applications, as well as to study inter-membrane interactions in living systems, such as cell adhesion.

  3. Crystallization of ion clouds in octupole traps: structural transitions, core melting, and scaling laws

    CERN Document Server

    Calvo, Florent; Yurtsever, Ersin

    2009-01-01

    The stable structures and melting properties of ion clouds in isotropic octupole traps are investigated using a combination of semi-analytical and numerical models, with a particular emphasis at finite size scaling effects. Small-size clouds are found to be hollow and arranged in shells corresponding approximately to the solutions of the Thomson problem. The shell structure is lost in clusters containing more than a few thousands of ions, the inner parts of the cloud becoming soft and amorphous. While melting is triggered in the core shells, the melting temperature unexpectedly follows the rule expected for three-dimensional dense particles, with a depression scaling linearly with the inverse radius.

  4. On the glass transition of the one-component metallic melts

    Science.gov (United States)

    Fedorchenko, A. I.

    2017-10-01

    In this paper, the conditions for one-component metallic melts vitrification by quenching from a liquid state were formulated. It is shown that the tendency to the glass formation drastically increases with the temperature of melting. The maximum glass layer thickness and the associated cooling rates along with the vitrification temperatures was determined for Al, Cu, and Ni melts deposited on the Cu substrate. The results are in agreement with the available experimental data. Based on analytical solution of the impinging droplet solidification, the numerical value of the early-introduced asymptotic Ω criterion, which separates equilibrium and non-equilibrium phase transitions, was determined. Good agreement between the calculated and experimental values of the thickness of the splats shows that Ω criterion indeed predicts a priori a scenario of solidification.

  5. Economic Growth Models Transition

    Directory of Open Access Journals (Sweden)

    Coralia Angelescu

    2006-03-01

    Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

  6. Economic Growth Models Transition

    Directory of Open Access Journals (Sweden)

    Coralia Angelescu

    2006-01-01

    Full Text Available The transitional recession in countries of Eastern Europe has been much longer than expected. The legacy and recent policy mistakes have both contributed to the slow progress. As structural reforms and gradual institution building have taken hold, the post-socialist economics have started to recover, with some leading countries building momentum toward faster growth. There is a possibility that in wider context of globalization several of these emerging market economies will be able to catch up with the more advanced industrial economies in a matter of one or two generations. Over the past few years, most candidate countries have made progress in the transition to a competitive market economy, macroeconomic stabilization and structural reform. However their income levels have remained far below those in the Member States. Measured by per capita income in purchasing power standards, there has been a very limited amount of catching up over the past fourteen years. Prior, the distinctions between Solow-Swan model and endogenous growth model. The interdependence between transition and integration are stated in this study. Finally, some measures of macroeconomic policy for sustainable growth are proposed in correlation with real macroeconomic situation of the Romanian economy. Our study would be considered the real convergence for the Romanian economy and the recommendations for the adequate policies to achieve a fast real convergence and sustainable growth.

  7. A Modeling Approach to Fiber Fracture in Melt Impregnation

    Science.gov (United States)

    Ren, Feng; Zhang, Cong; Yu, Yang; Xin, Chunling; Tang, Ke; He, Yadong

    2017-02-01

    The effect of process variables such as roving pulling speed, melt temperature and number of pins on the fiber fracture during the processing of thermoplastic based composites was investigated in this study. The melt impregnation was used in this process of continuous glass fiber reinforced thermoplastic composites. Previous investigators have suggested a variety of models for melt impregnation, while comparatively little effort has been spent on modeling the fiber fracture caused by the viscous resin. Herein, a mathematical model was developed for impregnation process to predict the fiber fracture rate and describe the experimental results with the Weibull intensity distribution function. The optimal parameters of this process were obtained by orthogonal experiment. The results suggest that the fiber fracture is caused by viscous shear stress on fiber bundle in melt impregnation mold when pulling the fiber bundle.

  8. Modeling the melting temperature of nanoscaled bimetallic alloys.

    Science.gov (United States)

    Li, Ming; Zhu, Tian-Shu

    2016-06-22

    The effect of size, composition and dimension on the melting temperature of nanoscaled bimetallic alloys was investigated by considering the interatomic interaction. The established thermodynamics model without any arbitrarily adjustable parameters can be used to predict the melting temperature of nanoscaled bimetallic alloys. It is found that, the melting temperature and interatomic interaction of nanoscaled bimetallic alloys decrease with the decrease in size and the increasing composition of the lower surface energy metal. Moreover, for the nanoscaled bimetallic alloys with the same size and composition, the dependence of the melting temperature on the dimension can be sequenced as follows: nanoparticles > nanowires > thin films. The accuracy of the developed model is verified by the recent experimental and computer simulation results.

  9. Mathematical Viscosity Models for Ternary Metallic and Silicate Melts

    Institute of Scientific and Technical Information of China (English)

    FU Yuan-kun; MENG Xian-min; GUO Han-jie

    2004-01-01

    The mathematical viscosity models for metallic melts were discussed. The experimental data of Ag-Au-Cu systems were used to verify the models based on Chou's general geometric thermodynamic model and the calculated results are consistent with the reported experimental data. A new model predicting the viscosity of multi-component silicate melts was established. The CaO-MnO-SiO2, CaO-FeO-SiO2 and FeO-MnO-SiO2 silicate slag systems were used to verify the model.

  10. Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets

    OpenAIRE

    Lipp, Vladimir

    2015-01-01

    In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First...

  11. Laser melting of carbide tool surface: Model and experimental studies

    Energy Technology Data Exchange (ETDEWEB)

    Yilbas, B.S., E-mail: bsyilbas@kfupm.edu.sa [ME Department, King Fahd University of Petroleum and Minerals, KFUPM Box 1913, Dhahran 31261 (Saudi Arabia); Shuja, S.Z.; Khan, S.M.A.; Aleem, A. [ME Department, King Fahd University of Petroleum and Minerals, KFUPM Box 1913, Dhahran 31261 (Saudi Arabia)

    2009-09-15

    Laser controlled melting is one of the methods to achieve structural integrity in the surface region of the carbide tools. In the present study, laser heating of carbide cutting tool and temperature distribution in the irradiated region are examined. The phase change process during the heating is modeled using the enthalpy-porosity method. The influence of laser pulse intensity distribution across the irradiated surface ({beta}) on temperature distribution and melt formation is investigated. An experiment is carried out and the microstructural changes due to laser consecutive pulse heating is examined using the scanning electron microscope (SEM). It is found that melt depth predicted agrees with the experimental results. The maximum depth of the melt layer moves away from the symmetry axis with increasing {beta}.

  12. Laser melting of carbide tool surface: Model and experimental studies

    Science.gov (United States)

    Yilbas, B. S.; Shuja, S. Z.; Khan, S. M. A.; Aleem, A.

    2009-09-01

    Laser controlled melting is one of the methods to achieve structural integrity in the surface region of the carbide tools. In the present study, laser heating of carbide cutting tool and temperature distribution in the irradiated region are examined. The phase change process during the heating is modeled using the enthalpy-porosity method. The influence of laser pulse intensity distribution across the irradiated surface ( β) on temperature distribution and melt formation is investigated. An experiment is carried out and the microstructural changes due to laser consecutive pulse heating is examined using the scanning electron microscope (SEM). It is found that melt depth predicted agrees with the experimental results. The maximum depth of the melt layer moves away from the symmetry axis with increasing β.

  13. A combined enthalpy / front tracking method for modelling melting and solidification in laser welding

    Science.gov (United States)

    Duggan, G.; Mirihanage, W. U.; Tong, M.; Browne, D. J.

    2012-07-01

    The authors present an integrated meso-scale 2D numerical model for the simulation of laser spot welding of a Fe-Cr-Ni steel. The melting of the parent materials due to the applied heating power is an important phenomenon, leading to the formation of the weld pool and the subsequent conditions from which solidification proceeds. This model deals with the dynamic formation of the weld pool whereby melting may be occurring at a given location while solidification has already commenced elsewhere throughout the weld pool. Considering both melting and possible simultaneous solidification in this manner ensures a more accurate simulation of temperature distribution. A source based enthalpy method is employed throughout the calculation domain in order to integrate the melting model with the UCD front tracking model for alloy solidification. Melting is tracked via interpolation of the liquidus isotherm, while solidification is treated via both the tracking of the advancing columnar dendritic front, and the nucleation and growth of equiaxed dendrites using a volume-averaging formulation. Heterogeneous nucleation is assumed to take place on TiN grain refiner particles at a grain refiner density of 1000 particles per mm2. A mechanical blocking criterion is used to define dendrite coherency, and the columnar-to-equiaxed transition within the weld pool is predicted.

  14. Ca(Ti,Si)O3 Diamond Inclusions Crystallized From Carbonate Melts in the Transition Zone: Experimental Constraints

    Science.gov (United States)

    Armstrong, L. S.; Walter, M. J.; Keshav, S.; Bulanova, G.; Pickles, J.; Lord, O. T.; Lennie, A.

    2007-12-01

    the Juina inclusions, suggesting that melt may be involved in their formation. The MgSiO3-content of calcium perovskite in nominally volatile-free melting experiments on natural peridotite and eclogite compositions8-9 is also much higher than that of the Juina inclusions (>3 mol%). We have made melting experiments on model carbonated peridotite (CMS-Ti- CO2) and eclogite (CMAS-Ti-CO2) compositions at 20 GPa using multi-anvil techniques at the Bayerisches Geoinstitut. We find that liquidus Ca(Ti,Si)-perovskite coexisting with Ca-carbonatite melt is remarkably depleted in MgSiO3 component, and that the Ti-rich diamond inclusion compositions are well-matched by perovskite crystallized from melt derived from a model eclogite source. We suggest that diamond and CaTi-perovskite crystallized syngenetically from a melt derived from carbonated eclogite in the transition zone.1. Hayman, Kopylova, & Kaminsky, CMP 149, 430-445 (2005). 2. Kaminsky et al., CMP 140, 734-753 (2001). 3. Kubo, Suzuki, & Akaogi, PCM 24, 488-494 (1997). 4. Brenker et al., EPSL 236, 579-587 (2005). Harte et al., GS Spec. Pub. #6, 125-153 (1999). 6. Stachel et al, CMP 140, 16-27 (2000). 7. Hirose et al.. Nature 397, 53-56 (1999). 8. Irifune & Ringwood, EPSL 117, 101-110 (1993). 9. Corgne et al., GCA 69, 485-496 (2005).

  15. Simulation of the melt season using a resolved sea ice model with snow cover and melt ponds

    Science.gov (United States)

    Skyllingstad, Eric D.; Shell, Karen M.; Collins, Lee; Polashenski, Chris

    2015-07-01

    A three-dimensional sea ice model is presented with resolved snow thickness variations and melt ponds. The model calculates heating from solar radiative transfer and simulates the formation and movement of brine/melt water through the ice system. Initialization for the model is based on observations of snow topography made during the summer melt seasons of 2009, 2010, and 2012 from a location off the coast of Barrow, AK. Experiments are conducted to examine the importance of snow properties and snow and ice thickness by comparing observed and modeled pond fraction and albedo. One key process simulated by the model is the formation of frozen layers in the ice as relatively warm fresh water grid cells freeze when cooled by adjacent, cold brine-filled grid cells. These layers prevent vertical drainage and lead to flooding of melt water commonly observed at the beginning of the melt season. Flooding persists until enough heat is absorbed to melt through the frozen layer. The resulting long-term melt pond coverage is sensitive to both the spatial variability of snow cover and the minimum snow depth. For thin snow cover, initial melting results in earlier, reduced flooding with a small change in pond fraction after drainage of the melt water. Deeper snow tends to generate a delayed, larger peak pond fraction before drainage.

  16. Disorder-assisted melting and the glass transition in amorphous solids

    Science.gov (United States)

    Zaccone, Alessio; Terentjev, Eugene

    2013-03-01

    The mechanical response of solids depends on temperature because the way atoms and molecules respond collectively to deformation is affected at various levels by thermal motion. This is a fundamental problem of solid state science and plays a crucial role in metallurgy, aerospace engineering, energy. In disordered solids (glass, amorphous semiconductors, ceramics, metallic glass, polymers) the vanishing of rigidity as a function of temperature is not well understood because continuum elasticity is inapplicable due to the disorder leading to nontrivial (nonaffine) components in the atomic displacements. Our theory explains the basic mechanism of the melting transition of amorphous solids in terms of the lattice energy lost to nonaffine motion, compared to which thermal vibrations turn out to play a negligible role. The theory is in good agreement with data on melting of amorphous polymers (where no alternative theory can be found in the literature) and offers new opportunities in materials science.

  17. Mathematical Modelling of Melt Lake Formation On An Ice Shelf

    Science.gov (United States)

    Buzzard, Sammie; Feltham, Daniel; Flocco, Daniela

    2016-04-01

    The accumulation of surface meltwater on ice shelves can lead to the formation of melt lakes. These structures have been implicated in crevasse propagation and ice-shelf collapse; the Larsen B ice shelf was observed to have a large amount of melt lakes present on its surface just before its collapse in 2002. Through modelling the transport of heat through the surface of the Larsen C ice shelf, where melt lakes have also been observed, this work aims to provide new insights into the ways in which melt lakes are forming and the effect that meltwater filling crevasses on the ice shelf will have. This will enable an assessment of the role of meltwater in triggering ice-shelf collapse. The Antarctic Peninsula, where Larsen C is situated, has warmed several times the global average over the last century and this ice shelf has been suggested as a candidate for becoming fully saturated with meltwater by the end of the current century. Here we present results of a 1-D mathematical model of heat transfer through an idealized ice shelf. When forced with automatic weather station data from Larsen C, surface melting and the subsequent meltwater accumulation, melt lake development and refreezing are demonstrated through the modelled results. Furthermore, the effect of lateral meltwater transport upon melt lakes and the effect of the lakes upon the surface energy balance are examined. Investigating the role of meltwater in ice-shelf stability is key as collapse can affect ocean circulation and temperature, and cause a loss of habitat. Additionally, it can cause a loss of the buttressing effect that ice shelves can have on their tributary glaciers, thus allowing the glaciers to accelerate, contributing to sea-level rise.

  18. An energy-budget-based glacier melting model for the Tibetan Plateau

    Science.gov (United States)

    Ding, Baohong; Yang, Kun; Chen, Yingying

    2013-04-01

    There have been rapid glacier retreats during the past few decades on the Tibetan Plateau, which not only have far-reaching impacts on the water resources in this region, but also potentially threat the downstream by glacial lake outburst floods. It is therefore important to model the physical link between glacier melting and climate changes and its implication in water resources. There have been a few studies on glacier melting models, of which the applicability is limited to some areas and the simulation capability also needs to be improved. This paper presents a new energy-budget-based model for the melting of the mountainous glaciers. Enthalpy, rather than temperature, is used in the energy balance equations to simplify the computation for the energy transfer through water phase transition and within-snow liquid water movement. Heat transfer is computed in both snow and ice layers, and the inhomogeneous layering method is employed to describe the temperature profiles better, especially at the interface between snow and atmosphere as well as that between snow and ice. A new parameterization scheme is introduced into the model to calculate turbulent heat transfer over glacier surfaces. This model was validated based on the data collected from a field experiment which was implemented in the melting zone of the Parlung No. 4 Glacier in the southeastern TP from May to August in 2009. The result shows that the RMSE of the simulated hourly surface temperature is about 0.97 degree centigrade and the R2 is 0.81. The RMSE of the simulated hourly latent heat flux and hourly sensible heat flux are 14.5W m^-2 and 23.5W m^-2 respectively, and R2 are 0.92 and 0.93. In general, this energy-budget-based model could reasonably simulate the glacier melting process. The model is still under development for a better simulation of the glacier melting and its contribution to the water resources.

  19. Image analysis of speckle patterns as a probe of melting transitions in laser-heated diamond anvil cell experiments.

    Science.gov (United States)

    Salem, Ran; Matityahu, Shlomi; Melchior, Aviva; Nikolaevsky, Mark; Noked, Ori; Sterer, Eran

    2015-09-01

    The precision of melting curve measurements using laser-heated diamond anvil cell (LHDAC) is largely limited by the correct and reliable determination of the onset of melting. We present a novel image analysis of speckle interference patterns in the LHDAC as a way to define quantitative measures which enable an objective determination of the melting transition. Combined with our low-temperature customized IR pyrometer, designed for measurements down to 500 K, our setup allows studying the melting curve of materials with low melting temperatures, with relatively high precision. As an application, the melting curve of Te was measured up to 35 GPa. The results are found to be in good agreement with previous data obtained at pressures up to 10 GPa.

  20. Surface energy budget of landfast sea ice during the transitions from winter to snowmelt and melt pond onset

    DEFF Research Database (Denmark)

    Else, B.G.T.; Papakyriakou, T.N.; Raddatz, R.

    2014-01-01

    Relatively few sea ice energy balance studies have successfully captured the transition season of warming, snowmelt, and melt pond formation. In this paper, we report a surface energy budget for landfast sea ice that captures this important period. The study was conducted in the Canadian Arctic......, but it delivered enough energy to significantly hasten melt onset had it occurred earlier in the season. Changes in the frequency, duration, and timing of synoptic-scale weather events that deliver clouds and/or strong turbulent heat fluxes may be important in explaining observed changes in sea ice melt onset......) combined with the seasonal increase in incoming shortwave radiation then triggered snowmelt onset. Melt progressed with a rapid reduction in albedo and attendant increases in shortwave energy absorption, resulting in melt pond formation 8 days later. The key role of longwave radiation in initiating melt...

  1. Hydrous melting and partitioning in and above the mantle transition zone: Insights from water-rich MgO-SiO2-H2O experiments

    Science.gov (United States)

    Myhill, R.; Frost, D. J.; Novella, D.

    2017-03-01

    Hydrous melting at high pressures affects the physical properties, dynamics and chemical differentiation of the Earth. However, probing the compositions of hydrous melts at the conditions of the deeper mantle such as the transition zone has traditionally been challenging. In this study, we conducted high pressure multianvil experiments at 13 GPa between 1200 and 1900 °C to investigate the liquidus in the system MgO-SiO2-H2O. Water-rich starting compositions were created using platinic acid (H2Pt(OH)6) as a novel water source. As MgO:SiO2 ratios decrease, the T -XH2O liquidus curve develops an increasingly pronounced concave-up topology. The melting point reduction of enstatite and stishovite at low water contents exceeds that predicted by simple ideal models of hydrogen speciation. We discuss the implications of these results with respect to the behaviour of melts in the deep upper mantle and transition zone, and present new models describing the partitioning of water between the olivine polymorphs and associated hydrous melts.

  2. Modeling of formation of intraplate partial melting zones

    Science.gov (United States)

    Perepechko, Y. V.; Sorokin, K. E.

    2010-12-01

    This study suggests the mathematical model of dynamics of partial melting in lithosphere causing formation of magmatic systems. The intraplate magmatic systems can be formed at achievement of required thermodynamic conditions, which can be developed due to the following mechanisms: contact heating; decompression melting at mantle matter penetration into lithosphere; and heating by filtering mantle melts and fluids in the weakened lithosphere zones above the asthenospheric structure related to a hotspot. The most efficient mechanism from the point of time and heating degree is the latter one. It is heating of lithosphere matter by mantle melts and fluids, which is especially important for development of melting sites in these systems. At formation of intraplate magmatic systems the fluid is filtered in a porous medium, porous matrix melts partially, and finally a granulated medium is formed there. To decrease the processes of heat and mass transfer in this system, the equations of dynamics of multiphase multivelocity media are derived in this study. In contrast to the Darcy-type models used in previous studies, the suggested two-velocity hydrodynamics theory describing fluid motions in a porous medium with complex reology is the thermodynamically consistent one and allows the description of nonstationary nonlinear processes. The governing equations of the model describe both the process of filtration through the deformed porous matrix and hydrodynamics of heterophase granulated medium without pressure equilibrium in phases. The work was supported by the grants 08-05-00467, 09-05-00602, 09-05-01084 from the Russian Foundation for Basic Research.

  3. Subaqueous melting in Zachariae Isstrom, Northeast Greenland combining observations and an ocean general circulation model

    Science.gov (United States)

    Cai, C.; Rignot, E. J.; Menemenlis, D.

    2015-12-01

    Zachariae Isstrom, a major ice stream in northeast Greenland, has lost its entire ice shelf in the past decade. Here, we study the evolution of subaqueous melting of its floating section during the transition. Observations show that the rate of ice shelf melting has doubled during 1999-2010 and is twice higher than that maintaining the ice shelf in a state of mass equilibrium. The ice shelf melt rate depends on the thermal forcing from warm, salty, subsurface ocean water of Atlantic origin (AW), and - in contrast with Antarctic ice shelves - on the mixing of AW with fresh buoyant subglacial discharge. Subglacial discharge has increased as result of enhanced ice sheet runoff driven by warmer air temperature; ocean thermal forcing has increased due enhanced advection of AW. Here, we employ the Massassuchetts Institute of Technology general circulation model (MITgcm) at a high spatial resolution (1 m horizontal and 1 m vertical spacing near the grounding line) to simulate the melting process in 3-D. The model is constrained by ice thickness from mass conservation, oceanic bathymetry from NASA Operation IceBridge gravity data, in-situ ocean temperature/salinity data, ocean tide height and current from the Arctic Ocean Tidal Inverse Model (AOTIM-5) and subglacial discharge from output products of the Regional Atmospheric Climate Model (RACMO). We compare the results in winter (no runoff) with summer (maximum runoff) at two different stages with (prior to 2012) and without the ice shelf (after 2012) to subaqueous melt rates deduced from remote sensing observations. We show that ice melting by the ocean has increased by one order of magnitude as a result of the transition from ice shelf terminating to near-vertical calving front terminating. We also find that subglacial discharge has a significant impact on the ice shelf melt rates in Greenland. We conclude on the impact of ocean warming and air temperature warming on the melting regime of the ice margin of Zachariae

  4. Numerical Model based Reliability Estimation of Selective Laser Melting Process

    DEFF Research Database (Denmark)

    Mohanty, Sankhya; Hattel, Jesper Henri

    2014-01-01

    Selective laser melting is developing into a standard manufacturing technology with applications in various sectors. However, the process is still far from being at par with conventional processes such as welding and casting, the primary reason of which is the unreliability of the process. While...... of the selective laser melting process. A validated 3D finite-volume alternating-direction-implicit numerical technique is used to model the selective laser melting process, and is calibrated against results from single track formation experiments. Correlation coefficients are determined for process input...... parameters such as laser power, speed, beam profile, etc. Subsequently, uncertainties in the processing parameters are utilized to predict a range for the various outputs, using a Monte Carlo method based uncertainty analysis methodology, and the reliability of the process is established....

  5. Supersaturating silicon with transition metals by ion implantation and pulsed laser melting

    Energy Technology Data Exchange (ETDEWEB)

    Recht, Daniel; Aziz, Michael J. [Harvard School of Engineering and Applied Sciences, Cambridge, Massachusetts 02138 (United States); Smith, Matthew J.; Gradečak, Silvija [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Charnvanichborikarn, Supakit; Williams, James S. [Research School of Physics and Engineering, The Australian National University, Canberra, ACT (Australia); Sullivan, Joseph T.; Winkler, Mark T.; Buonassisi, Tonio [Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge Massachusetts 02139 (United States); Mathews, Jay; Warrender, Jeffrey M. [Benet Laboratories, U.S. Army ARDEC, Watervliet, New York 12189 (United States)

    2013-09-28

    We investigate the possibility of creating an intermediate band semiconductor by supersaturating Si with a range of transition metals (Au, Co, Cr, Cu, Fe, Pd, Pt, W, and Zn) using ion implantation followed by pulsed laser melting (PLM). Structural characterization shows evidence of either surface segregation or cellular breakdown in all transition metals investigated, preventing the formation of high supersaturations. However, concentration-depth profiling reveals that regions of Si supersaturated with Au and Zn are formed below the regions of cellular breakdown. Fits to the concentration-depth profile are used to estimate the diffusive speeds, v{sub D,} of Au and Zn, and put lower bounds on v{sub D} of the other metals ranging from 10{sup 2} to 10{sup 4} m/s. Knowledge of v{sub D} is used to tailor the irradiation conditions and synthesize single-crystal Si supersaturated with 10{sup 19} Au/cm{sup 3} without cellular breakdown. Values of v{sub D} are compared to those for other elements in Si. Two independent thermophysical properties, the solute diffusivity at the melting temperature, D{sub s}(T{sub m}), and the equilibrium partition coefficient, k{sub e}, are shown to simultaneously affect v{sub D}. We demonstrate a correlation between v{sub D} and the ratio D{sub s}(T{sub m})/k{sub e}{sup 0.67}, which is exhibited for Group III, IV, and V solutes but not for the transition metals investigated. Nevertheless, comparison with experimental results suggests that D{sub s}(T{sub m})/k{sub e}{sup 0.67} might serve as a metric for evaluating the potential to supersaturate Si with transition metals by PLM.

  6. An integrated meso-scale numerical model of melting and solidification in laser welding

    Science.gov (United States)

    Duggan, G.; Tong, M.; Browne, D. J.

    2012-01-01

    The authors present an integrated numerical model for the simulation of laser spot welding of an aluminium alloy at meso-scale in 2D. This model deals with the melting of the parent materials which form the weld pool and the subsequent solidification of the liquid metal in the pool, during the welding process. The melting of the parent materials due to the applied heating power is an important phenomenon, which determines the conditions at the onset of solidification, such as the geometry of the weld pool and the distribution of the temperature field. An enthalpy method is employed to predict the melting during the heating phase of welding. A Gaussian distribution is used to model the heat input from the laser. Once the laser beam is switched off and the melting halts, solidification commences. The UCD front tracking model [1,2] for alloy solidification is applied to predict the advancement of the columnar dendritic front, and a volume-averaging formulation is used to simulate nucleation and growth of equiaxed dendrites. A mechanical blocking criterion is used to define dendrite coherency, and the columnar-to-equiaxed transition within the weld pool is predicted.

  7. Sulfur Solubility In Silicate Melts: A Thermochemical Model

    Science.gov (United States)

    Moretti, R.; Ottonello, G.

    A termochemical model for calculating sulfur solubility of simple and complex silicate melts has been developed in the framework of the Toop-Samis polymeric approach combined with a Flood - Grjotheim theoretical treatment of silicate slags [1,2]. The model allows one to compute sulfide and sulfate content of silicate melts whenever fugacity of gaseous sulphur is provided. "Electrically equivalent ion fractions" are needed to weigh the contribution of the various disproportion reactions of the type: MOmelt + 1/2S2 ,gas MSmelt+1/2O2 ,gas (1) MOmelt + 1/2S2 ,gas + 3/2O2 ,gas MSO4 ,melt (2) Eqs. 1 and 2 account for the oxide-sulfide and the oxide-sulfate disproportiona- tion in silicate melt. Electrically equivalent ion fractions are computed, in a fused salt Temkin notation, over the appropriate matrixes (anionic and cationic). The extension of such matrixes is calculated in the framework of a polymeric model previously developed [1,2,3] and based on a parameterization of acid-base properties of melts. No adjustable parameters are used and model activities follow the raoultian behavior implicit in the ion matrix solution of the Temkin notation. The model is based on a huge amount of data available in literature and displays a high heuristic capability with virtually no compositional limits, as long as the structural role assigned to each oxide holds. REFERENCES: [1] Ottonello G., Moretti R., Marini L. and Vetuschi Zuccolini M. (2001), Chem. Geol., 174, 157-179. [2] Moretti R. (2002) PhD Thesis, University of Pisa. [3] Ottonello G. (2001) J. Non-Cryst. Solids, 282, 72-85.

  8. Evaporation experiments and modelling for glass melts

    NARCIS (Netherlands)

    Limpt, J.A.C. van; Beerkens, R.G.C.

    2007-01-01

    A laboratory test facility has been developed to measure evaporation rates of different volatile components from commercial and model glass compositions. In the set-up the furnace atmosphere, temperature level, gas velocity and batch composition are controlled. Evaporation rates have been measured

  9. Evaporation experiments and modelling for glass melts

    NARCIS (Netherlands)

    Limpt, J.A.C. van; Beerkens, R.G.C.

    2007-01-01

    A laboratory test facility has been developed to measure evaporation rates of different volatile components from commercial and model glass compositions. In the set-up the furnace atmosphere, temperature level, gas velocity and batch composition are controlled. Evaporation rates have been measured f

  10. Structural relaxation time and cooling rate of a melt in the glass transition region

    Science.gov (United States)

    Sanditov, D. S.; Sydykov, B. S.

    2015-03-01

    The nature of the parameter involved in the Bartenev equation qτg = C relating the cooling rate of a glass-forming melt to its structural relaxation time in the glass transition region is discussed on the basis of the Volkenshtein-Ptitsyn theory using a number of known relationships. It is established that parameter C for amorphous substances with the same fragility is linearly temperature dependent. This parameter is shown to equal the narrow temperature range δ T g characterizing the liquid-glass transition region (by Nemilov); i.e., C = δ T g. It is concluded that δ T g for most glassy systems is only ˜0.7% of the glass transition temperature T g. The narrowness of temperature range δ T g is explained by the small fluctuation volume fraction f g "frozen" at the glass transition temperature. The concept of a close relationship between constant C and the structural order at T g (i.e., the characteristic of the inner state of a nonequilibrium "frozen" amorphous system) is developed.

  11. Kinetic roughening transition and missing regime transition of melt crystallized polybutene-1 tetragonal phase: growth kinetics analysis

    Institute of Scientific and Technical Information of China (English)

    Motoi YAMASHITA

    2009-01-01

    The morphology and lateral growth rate of isotactic polybutene-1 (it-PBl) have been investigated for crystallization from the melt over a wide range of crystallization temperatures from 50 to 110°C. The morphology of it-PBl crystals is a rounded shape at crystallization temperatures lower than 85°C, while lamellar single crystals possess faceted morphology at higher crystallization temperatures. The kinetic roughening transition occurs around 85°C. The nucleation and growth mechanism for crystallization does not work below 85°C, since the growth face is rough. However, the growth rate shows the supercooling dependence derived from the nucleation and growth mechanism. The nucleation theory seems still to work even for rough surface growth. Possible mechanisms for the crystal growth of this polymer are discussed.

  12. Enthalpy model for heating, melting, and vaporization in laser ablation

    OpenAIRE

    Vasilios Alexiades; David Autrique

    2010-01-01

    Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu) target in a helium (He) background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model th...

  13. Effect of the lipid chain melting transition on the stability of DSPE-PEG(2000) micelles.

    Science.gov (United States)

    Kastantin, Mark; Ananthanarayanan, Badriprasad; Karmali, Priya; Ruoslahti, Erkki; Tirrell, Matthew

    2009-07-01

    Micellar nanoparticles are showing promise as carriers of diagnostic and therapeutic biofunctionality, leading to increased interest in their properties and behavior, particularly their size, shape, and stability. This work investigates the physical chemistry of micelles formed from DSPE-PEG(2000) monomers as it pertains to these properties. A melting transition in the lipid core of spheroidal DSPE-PEG(2000) micelles is observed as an endothermic peak at 12.8 degrees C upon heating in differential scanning calorimetry thermograms. Bulky PEG(2000) head groups prevent regular crystalline packing of lipids in both the low-temperature glassy and high-temperature fluid phases, as evidenced by wide-angle X-ray scattering. Equilibrium micelle geometry is spheroidal above and below the transition temperature, indicating that the entropic penalty to force the PEG brush into flat geometry is greater than the enthalpic benefit to the glassy core to pack in an extended configuration. Increased micelle stability is seen in the glassy phase with monomer desorption rates significantly lower than in the fluid phase. Activation energies for monomer desorption are 156+/-6.7 and 79+/-5.0 kJ/mol for the glassy and fluid phases, respectively. The observation of a glass transition that increases micelle stability but does not perturb micelle geometry is useful for the design of more effective biofunctional micelles.

  14. Modeling the Rheology of Polymer Melts and Solutions

    Science.gov (United States)

    Larson, R. G.; Desai, Priyanka S.

    2015-01-01

    We review constitutive modeling of solutions and melts of linear polymers, focusing on changes in rheological behavior in shear and extensional flow as the concentration increases from unentangled dilute, to entangled, to dense melt. The rheological changes are captured by constitutive equations, prototypes of which are the FENE-P model for unentangled solutions and the DEMG model for entangled solutions and melts. From these equations, and supporting experimental data, for dilute solutions, the extensional viscosity increases with the strain rate from the low-strain rate to the high-strain rate asymptote, but in the densely entangled state, the high-strain rate viscosity is lower than the low-shear rate value, especially when orientation-dependent friction is accounted for. In shearing flow, shear thinning increases dramatically as the entanglement density increases, which can eventually lead to a shear-banding inhomogeneity. Recent improvements in constitutive modeling are paving the way for robust and accurate numerical simulations of polymer fluid mechanics and industrial processing of polymers.

  15. Surface tension driven flow in glass melts and model fluids

    Science.gov (United States)

    Mcneil, T. J.; Cole, R.; Subramanian, R. S.

    1982-01-01

    Surface tension driven flow has been investigated analytically and experimentally using an apparatus where a free column of molten glass or model fluids was supported at its top and bottom faces by solid surfaces. The glass used in the experiments was sodium diborate, and the model fluids were silicone oils. In both the model fluid and glass melt experiments, conclusive evidence was obtained to prove that the observed flow was driven primarily by surface tension forces. The experimental observations are in qualitative agreement with predictions from the theoretical model.

  16. Mathematical Modeling of the Melting Rate of Metallic Particles in the Electric Arc Furnace

    National Research Council Canada - National Science Library

    González, O. J. P; Ramírez-Argáez, Marco A; Conejo, A. N

    2010-01-01

    A computational fluid dynamics model coupled to a lagrangian model of melting/solidifying particles has been developed to describe the melting kinetics of metallic particles in an industrial Electric Arc Furnace (EAF...

  17. Submarine Melting of Icebergs from Repeat High-Resolution Digital Elevation Models

    Science.gov (United States)

    Enderlin, E. M.; Hamilton, G. S.; Straneo, F.; Cenedese, C.

    2014-12-01

    Icebergs calved from tidewater glaciers act as distributed freshwater sources as they transit through fjords to the surrounding ocean basins. Glacier discharge estimates provide a crude approximation of the total iceberg discharge on inter-annual timescales, but the liquid freshwater flux from icebergs in glacial fjords is largely unknown. Here we use repeat high-resolution digital elevation models (DEMs) to derive meltwater fluxes for 18 icebergs in Sermilik Fjord, East Greenland, during the 2011-2013 boreal summers, and for 33 comparably-sized icebergs in Ilulissat Fjord, West Greenland, during March-April 2011 and July 2012. We find that iceberg melt rates for Sermilik Fjord are in good agreement with simulated melt rates along the vertical terminus of Helheim Glacier in winter, i.e. when melting at the glacier front is not enhanced by subglacial discharge, providing an independent validation of our technique. Variations in meltwater fluxes from icebergs are primarily related to differences in the submerged area of individual icebergs, which is consistent with theory. The stratification of water masses in fjords has a noticeable effect on summertime-derived melt estimates, with lower melt rates (and meltwater fluxes) observed in the relatively cold and fresh Polar Water layer and higher melt rates in the underlying warmer and more saline Atlantic Water layer. The meltwater flux dependence on submerged area, particularly within the deeper Atlantic Water layer, suggests that changes in the characteristics of icebergs (size/shape/keel-depth) calved from a tidewater glacier will alter the magnitude and distribution of meltwater fluxes within the fjord, which may in turn influence fjord circulation and the heat content delivered to the glacier terminus.

  18. Modeling frictional melt injection to constrain coseismic physical conditions

    Science.gov (United States)

    Sawyer, William J.; Resor, Phillip G.

    2017-07-01

    Pseudotachylyte, a fault rock formed through coseismic frictional melting, provides an important record of coseismic mechanics. In particular, injection veins formed at a high angle to the fault surface have been used to estimate rupture directivity, velocity, pulse length, stress drop, as well as slip weakening distance and wall rock stiffness. These studies have generally treated injection vein formation as a purely elastic process and have assumed that processes of melt generation, transport, and solidification have little influence on the final vein geometry. Using a pressurized crack model, an analytical approximation of injection vein formation based on dike intrusion, we find that the timescales of quenching and flow propagation may be similar for a subset of injection veins compiled from the Asbestos Mountain Fault, USA, Gole Larghe Fault Zone, Italy, and the Fort Foster Brittle Zone, USA under minimum melt temperature conditions. 34% of the veins are found to be flow limited, with a final geometry that may reflect cooling of the vein before it reaches an elastic equilibrium with the wall rock. Formation of these veins is a dynamic process whose behavior is not fully captured by the analytical approach. To assess the applicability of simplifying assumptions of the pressurized crack we employ a time-dependent finite-element model of injection vein formation that couples elastic deformation of the wall rock with the fluid dynamics and heat transfer of the frictional melt. This finite element model reveals that two basic assumptions of the pressurized crack model, self-similar growth and a uniform pressure gradient, are false. The pressurized crack model thus underestimates flow propagation time by 2-3 orders of magnitude. Flow limiting may therefore occur under a wider range of conditions than previously thought. Flow-limited veins may be recognizable in the field where veins have tapered profiles or smaller aspect ratios than expected. The occurrence and

  19. Melting of transition metals at high pressure and the influence of liquid frustration. I. The late metals Cu, Ni and Fe

    Energy Technology Data Exchange (ETDEWEB)

    Ross, M; Boehler, R; Errandonea, D

    2007-03-15

    This report focuses on the role that frustration, or preferred liquid local causes ordering, plays in the melting of transition metals. Specifically, Cu, Ni and Fe. It is proposed that for liquids of metals with partially filled d-bands (Ni and Fe) frustration caused by Peierls/Jahn-Teller distortion and pressure-induced s-d electron promotion provides a mechanism for creating and enhancing the stability of local structures. At the most elementary level, liquid structures are essentially impurities that lower the freezing point. In the case of transition metals with partially filled d-bands, the application of pressure induces s-d electron promotion increases the concentration of local structures. This leads to melting slopes for Ni and Fe that are considerably lower than measured for Cu, and lower than for theoretical predictions employing models in which liquid structures are neglected.

  20. Modelization of flow electrification in a polymer melt

    CERN Document Server

    Flores, F; Allal, A; Guerret-Piécourt, C

    2007-01-01

    Flow electrification of polymer melts is an important side effect of polymer processing. The studies dealing with this phenomenon are seldom and most of the scientific work has been focused on flow electrification of aqueous and insulating Newtonian liquids. From that prior art it is well established that the flow electrification in Newtonian liquids is a consequence of the formation of an ionic double layer. Convection of this layer induces the electrification of the liquid at the outlet of the pipe. In those models, the key parameters governing the flow electrification are thus the intrinsic electrical properties of the polymer and the flow characteristics. In this work, we reconsider the assumptions made previously and we propose a new approach to modelise the flow electrification in the particular case of non-Newtonian polymer materials in laminar flow conditions. We establish that, a key parameter for the electrification quantification in the polymer melt is the shape of the velocity profile. Additionall...

  1. Sea ice melt onset associated with lead opening during the spring/summer transition near the North Pole

    Science.gov (United States)

    Vivier, Frédéric; Hutchings, Jennifer K.; Kawaguchi, Yusuke; Kikuchi, Takashi; Morison, James H.; Lourenço, Antonio; Noguchi, Tomohide

    2016-04-01

    In the central Arctic Ocean, autonomous observations of the ocean mixed layer and ice documented the transition from cold spring to early summer in 2011. Ice-motion measurements using GPS drifters captured three events of lead opening and ice ridge formation in May and June. Satellite sea ice concentration observations suggest that locally observed lead openings were part of a larger-scale pattern. We clarify how these ice deformation events are linked with the onset of basal sea ice melt, which preceded surface melt by 20 days. Observed basal melt and ocean warming are consistent with the available input of solar radiation into leads, once the advent of mild atmospheric conditions prevents lead refreezing. We use a one-dimensional numerical simulation incorporating a Local Turbulence Closure scheme to investigate the mechanisms controlling basal melt and upper ocean warming. According to the simulation, a combination of rapid ice motion and increased solar energy input at leads promotes basal ice melt, through enhanced mixing in the upper mixed layer, while slow ice motion during a large lead opening in mid-June produced a thin, low-density surface layer. This enhanced stratification near the surface facilitates storage of solar radiation within the thin layer, instead of exchange with deeper layers, leading to further basal ice melt preceding the upper surface melt.

  2. Modeling of beam-target interaction during pulsed electron beam ablation of graphite: Case of melting

    Science.gov (United States)

    Ali, Muddassir; Henda, Redhouane

    2017-02-01

    A one-dimensional thermal model based on a two-stage heat conduction equation is employed to investigate the ablation of graphite target during nanosecond pulsed electron beam ablation. This comprehensive model accounts for the complex physical phenomena comprised of target heating, melting and vaporization upon irradiation with a polyenergetic electron beam. Melting and vaporization effects induced during ablation are taken into account by introducing moving phase boundaries. Phase transition induced during ablation is considered through the temperature dependent thermodynamic properties of graphite. The effect of electron beam efficiency, power density, and accelerating voltage on ablation is analyzed. For an electron beam operating at an accelerating voltage of 15 kV and efficiency of 0.6, the model findings show that the target surface temperature can reach up to 7500 K at the end of the pulse. The surface begins to melt within 25 ns from the pulse start. For the same process conditions, the estimated ablation depth and ablated mass per unit area are about 0.60 μm and 1.05 μg/mm2, respectively. Model results indicate that ablation takes place primarily in the regime of normal vaporization from the surface. The results obtained at an accelerating voltage of 15 kV and efficiency factor of 0.6 are satisfactorily in good accordance with available experimental data in the literature.

  3. Numerical Modeling of Micro Fluidics of Polymer Melts

    DEFF Research Database (Denmark)

    Marin, José Manuel Román; Rasmussen, Henrik K.

    2008-01-01

    film on a hard substrate. The numerical method is based on a Lagrangian kinematics description of the fluid, where the (Cartesian) coordinate system attached to the particles is discretized by ten-node quadratic tetrahedral elements. The time integral in the K-BKZ model is discretized by a quadratic......A new Galerkin finite element scheme for the numerical simulation of three-dimensional time-dependent flow of K-BKZ fluids has been developed. The scheme was used to model the polymer melt flow in nano imprint lithography (NIL). In NIL a sub micrometer pattern is hot pressed onto a thin polymer...

  4. Enthalpy model for heating, melting, and vaporization in laser ablation

    Directory of Open Access Journals (Sweden)

    Vasilios Alexiades

    2010-09-01

    Full Text Available Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu target in a helium (He background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model that connects the thermodynamics and underlying kinetics of this challenging phase change problem in a self-consistent way.

  5. MODELING THE CHAIN CONFORMATION OF POLYMER MELTS IN CONTRACTION FLOW

    Institute of Scientific and Technical Information of China (English)

    Qing Shen; Jian-feng Hu; Qing-feng Gu

    2003-01-01

    A constitutive model of quasi-Newtonian fluid based on the type of flow is used in abrupt planar contraction flow.The numerical results from finite element analysis are consistent with experimental data for stress patterns and velocity profiles in the flow field. The chain conformations of polymer melts are then investigated in such a planar contraction by using the phenomenological model with internal parameters proposed by the author. That is, the shape and orientation of polymer chain coils are predicted and discussed in different flow regions of the contraction flow field that possess simple shear flow, extensional flow, vortical flow, and mixed flow respectively.

  6. Gas Atomization of Aluminium Melts: Comparison of Analytical Models

    Directory of Open Access Journals (Sweden)

    Georgios Antipas

    2012-06-01

    Full Text Available A number of analytical models predicting the size distribution of particles during atomization of Al-based alloys by N2, He and Ar gases were compared. Simulations of liquid break up in a close coupled atomizer revealed that the finer particles are located near the center of the spray cone. Increasing gas injection pressures led to an overall reduction of particle diameters and caused a migration of the larger powder particles towards the outer boundary of the flow. At sufficiently high gas pressures the spray became monodisperse. The models also indicated that there is a minimum achievable mean diameter for any melt/gas system.

  7. High temperature phase transition of mixed (PuO2 + ThO2) investigated by laser melting

    NARCIS (Netherlands)

    Böhler, R.; Cakir, P.; Benes, O.; Hein, H.; Konings, R.J.M.; Manara, D.

    2014-01-01

    A laser heating approach combined with fast pyrometry in a thermal arrest method was used to provide new data for the melting/solidification phase transition in mixed (PuO2 + ThO2) at high temperature. At low concentration of ThO2 in PuO2 a minimum in the solidification temperature in the pseudo bin

  8. Phase equilibrium in argon films stabilized by homogeneous surfaces and thermodynamics of two-stage melting transition

    Energy Technology Data Exchange (ETDEWEB)

    Ustinov, E. A., E-mail: eustinov@mail.wplus.net [Ioffe Physical Technical Institute, 26 Polytechnicheskaya, St. Petersburg 194021 (Russian Federation)

    2014-02-21

    Freezing of gases adsorbed on open surfaces (e.g., graphite) and in narrow pores is a widespread phenomenon which is a subject of a large number of publications. Modeling of the gas/liquid–solid transition is usually accomplished with a molecular simulation technique. However, quantitative analysis of the gas/liquid–solid coexistence and thermodynamic properties of the solid layer still encounters serious difficulties. This is mainly due to the effect of simulation box size on the lattice constant. Since the lattice constant is a function of loading and temperature, once the ordering transition has occurred, the simulation box size must be corrected in the course of simulation according to the Gibbs–Duhem equation. A significant problem is also associated with accurate prediction of the two-dimensional liquid–solid coexistence because of a small difference in densities of coexisting phases. The aim of this study is thermodynamic analysis of the two-dimensional phase coexistence in systems involving crystal-like free of defects layers in narrow slit pores. A special attention was paid to the determination of triple point temperatures. It is shown that intrinsic properties of argon monolayer adsorbed on the graphite surface are similar to those of isolated monolayer accommodated in the slit pore having width of two argon collision diameters. Analysis of the latter system is shown to be clearer and less time-consuming than the former one, which has allowed for explanation of the experimentally observed two-stage melting transition of argon monolayer on graphite without invoking the periodic surface potential modulation and orientational transition.

  9. A Review of Dynamic Models of Hot-Melt Extrusion

    Directory of Open Access Journals (Sweden)

    Jonathan Grimard

    2016-06-01

    Full Text Available Hot-melt extrusion is commonly applied for forming products, ranging from metals to plastics, rubber and clay composites. It is also increasingly used for the production of pharmaceuticals, such as granules, pellets and tablets. In this context, mathematical modeling plays an important role to determine the best process operating conditions, but also to possibly develop software sensors or controllers. The early models were essentially black-box and relied on the measurement of the residence time distribution. Current models involve mass, energy and momentum balances and consists of (partial differential equations. This paper presents a literature review of a range of existing models. A common case study is considered to illustrate the predictive capability of the main candidate models, programmed in a simulation environment (e.g., MATLAB. Finally, a comprehensive distributed parameter model capturing the main phenomena is proposed.

  10. An analogue model of melt segregation and accumulation processes in the Earth’s crust

    Directory of Open Access Journals (Sweden)

    Soesoo, Alvar

    2007-03-01

    Full Text Available An analogue experiment was carried out to model melt segregation from the solid rock matrix and its subsequent transport. Carbon dioxide gas and sand were used as analogue materials of crustal partial melt and host rock, respectively. The analogue model displays the diffusional transport mode at low flux rates and the transition to the ballistical mode as the response of the system to a higher gas flux. The ballistical mode is characterized by discontinuous transport and extraction of the gas phase in separate batches, which leads to the development of power law batch size distribution in the system. The gas is extracted preferentially in large batches and does not influence the state of the system and size distribution of remaining batches. The implications of the analogue model to real magmatic processes are supported by power law leucosome width distributions measured in several migmatite localities. The emergence of fractality and 1/f power spectrum of system fluctuations provide evidence of possible self-organized critical nature of melt segregation processes.

  11. Magnetostructural transitions in Mn-rich Heusler Mn–Ni–In melt-spun ribbons with enhanced magnetocaloric effect

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hongwei; Feng, Shutong; Ren, Jian [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Laboratory for Microstructures, Shanghai University, Shanghai 200072 (China); Zhai, Qijie; Fu, Jianxun [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Luo, Zhiping [Department of Chemistry and Physics, Fayetteville State University, Fayetteville, NC 28301 (United States); Zheng, Hongxing, E-mail: hxzheng@shu.edu.cn [State Key Laboratory of Advanced Special Steels, Shanghai University, Shanghai 200072 (China); Laboratory for Microstructures, Shanghai University, Shanghai 200072 (China)

    2015-10-01

    The magnetostructural transition behavior and magnetocaloric effect of Mn-rich Heusler Mn–Ni–In melt-spun ribbons have been investigated in the present study. Experimental results showed that the martensitic transition temperatures decreased by substituting small amounts of Ni with Mn in Mn{sub 49+x}Ni{sub 42−x}In{sub 9} (x=0,1,2). Within a temperature range from 100 K to 380 K, the Mn{sub 49}Ni{sub 41}In{sub 9} underwent a martensitic transformation from a paramagnetic L2{sub 1}-type cubic austenite to a ferromagnetic modulated fourteen-layered monoclinic (14M) martensite, followed with a ferromagnetic→weak-magnetic transition in martensite upon cooling. While for both Mn{sub 50}Ni{sub 41}In{sub 9} and Mn{sub 51}Ni{sub 40}In{sub 9}, the paramagnetic→ferromagnetic transition in austenite occurred prior to the martensitic transformation upon cooling. Under a magnetic field change of 30 kOe, the maximum magnetic entropy changes of the Mn{sub 50}Ni{sub 41}In{sub 9} melt-spun ribbons were found to be 5.7 J/kg K and −2.3 J/kg K in the vicinity of martensitic transformation and magnetic transition of austenite, respectively. An enhanced total effective refrigeration capacity as high as 184.2 J/kg was obtained in the Mn{sub 50}Ni{sub 41}In{sub 9} melt-spun ribbons. - Highlights: • Mn-rich Heusler Mn–Ni–In melt-spun ribbons were investigated in the present study. • The compositional dependence on the magnetostructural transition behavior was clarified. • An enhanced refrigeration capacity as high as 184.2 J/kg was obtained in Mn{sub 50}Ni{sub 41}In{sub 9}.

  12. Thermal Modeling of Direct Digital Melt-Deposition Processes

    Science.gov (United States)

    Cooper, K. P.; Lambrakos, S. G.

    2011-02-01

    Additive manufacturing involves creating three-dimensional (3D) objects by depositing materials layer-by-layer. The freeform nature of the method permits the production of components with complex geometry. Deposition processes provide one more capability, which is the addition of multiple materials in a discrete manner to create "heterogeneous" objects with locally controlled composition and microstructure. The result is direct digital manufacturing (DDM) by which dissimilar materials are added voxel-by-voxel (a voxel is volumetric pixel) following a predetermined tool-path. A typical example is functionally gradient material such as a gear with a tough core and a wear-resistant surface. The inherent complexity of DDM processes is such that process modeling based on direct physics-based theory is difficult, especially due to a lack of temperature-dependent thermophysical properties and particularly when dealing with melt-deposition processes. In order to overcome this difficulty, an inverse problem approach is proposed for the development of thermal models that can represent multi-material, direct digital melt deposition. This approach is based on the construction of a numerical-algorithmic framework for modeling anisotropic diffusivity such as that which would occur during energy deposition within a heterogeneous workpiece. This framework consists of path-weighted integral formulations of heat diffusion according to spatial variations in material composition and requires consideration of parameter sensitivity issues.

  13. Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

    Science.gov (United States)

    Naumis, Gerardo G

    2012-06-01

    When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

  14. Modeling and simulation of Si crystal growth from melt

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lijun; Liu, Xin; Li, Zaoyang [National Engineering Research Center for Fluid Machinery and Compressors, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Miyazawa, Hiroaki; Nakano, Satoshi; Kakimoto, Koichi [Research Institute for Applied Mechanics, Kyushu University, Kasuga 816-8580 (Japan)

    2009-07-01

    A numerical simulator was developed with a global model of heat transfer for any crystal growth taking place at high temperature. Convective, conductive and radiative heat transfers in the furnace are solved together in a conjugated way by a finite volume method. A three-dimensional (3D) global model was especially developed for simulation of heat transfer in any crystal growth with 3D features. The model enables 3D global simulation be conducted with moderate requirement of computer resources. The application of this numerical simulator to a CZ growth and a directional solidification process for Si crystals, the two major production methods for crystalline Si for solar cells, was introduced. Some typical results were presented, showing the importance and effectiveness of numerical simulation in analyzing and improving these kinds of Si crystal growth processes from melt. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. 2D model for melt progression through rods and debris

    Energy Technology Data Exchange (ETDEWEB)

    Fichot, F. [IPSN/DRS, CEA Cadarache, St. Paul-lez-Durance (France)

    2001-07-01

    During the degradation of a nuclear core in a severe accident scenario, the high temperatures reached lead to the melting of materials. The formation of liquid mixtures at various elevations is followed by the flow of molten materials through the core. Liquid mixture may flow under several configurations: axial relocation along the rods, horizontal motion over a plane surface such as the core support plate or a blockage of material, 2D relocation through a debris bed, etc.. The two-dimensional relocation of molten material through a porous debris bed, implemented for the simulation of late degradation phases, has opened a new way to the elaboration of the relocation model for the flow of liquid mixture along the rods. It is based on a volume averaging method, where wall friction and capillary effects are taken into account by introducing effective coefficients to characterize the solid matrix (rods, grids, debris, etc.). A local description of the liquid flow is necessary to derive the effective coefficients. Heat transfers are modelled in a similar way. The derivation of the conservation equations for the liquid mixture falling flow (momentum) in two directions (axial and radial-horizontal) and for the heat exchanges (energy) are the main points of this new model for simulating melt progression. In this presentation, the full model for the relocation and solidification of liquid materials through a rod bundle or a debris bed is described. It is implemented in the ICARE/CATHARE code, developed by IPSN in Cadarache. The main improvements and advantages of the new model are: A single formulation for liquid mixture relocation, in 2D, either through a rod bundle or a porous debris bed, Extensions to complex structures (grids, by-pass, etc..), The modeling of relocation of a liquid mixture over plane surfaces. (author)

  16. Stepwise behavior of vortex-lattice melting transition in tilted magnetic fields in single crystals of Bi(2)Sr(2)CaCu(2)O(8 + delta).

    Science.gov (United States)

    Mirković, J; Savel'ev, S E; Sugahara, E; Kadowaki, K

    2001-01-29

    The vortex-lattice melting transition in Bi(2)Sr(2)CaCu(2)O(8 + delta) single crystals was studied using in-plane resistivity measurements in magnetic fields tilted away from the c axis to the ab plane. In order to avoid the surface barrier effect which hinders the melting transition in the conventional transport measurements, we used the Corbino geometry of electric contacts. The complete H(c) - H(ab) phase diagram of the melting transition in Bi(2)Sr(2)CaCu(2)O(8 + delta) is obtained for the first time. The c-axis melting field component H(c)(melt) exhibits the novel, stepwise dependence on the in-plane magnetic fields H(ab) which is discussed on the basis of the crossing vortex-lattice structure. The peculiar resistance behavior observed near the ab plane suggests the change of phase transition character from first to second order.

  17. Modeling soil moisture processes and recharge under a melting snowpack

    Science.gov (United States)

    Flint, A.L.; Flint, L.E.; Dettinger, M.D.

    2008-01-01

    Recharge into granitic bedrock under a melting snowpack is being investigated as part of a study designed to understand hydrologic processes involving snow at Yosemite National Park in the Sierra Nevada Mountains of California. Snowpack measurements, accompanied by water content and matric potential measurements of the soil under the snowpack, allowed for estimates of infiltration into the soil during snowmelt and percolation into the bedrock. During portions of the snowmelt period, infiltration rates into the soil exceeded the permeability of the bedrock and caused ponding to be sustained at the soil-bedrock interface. During a 5-d period with little measured snowmelt, drainage of the ponded water into the underlying fractured granitic bedrock was estimated to be 1.6 cm d?1, which is used as an estimate of bedrock permeability. The numerical simulator TOUGH2 was used to reproduce the field data and evaluate the potential for vertical flow into the fractured bedrock or lateral flow at the bedrock-soil interface. During most of the snowmelt season, the snowmelt rates were near or below the bedrock permeability. The field data and model results support the notion that snowmelt on the shallow soil overlying low permeability bedrock becomes direct infiltration unless the snowmelt rate greatly exceeds the bedrock permeability. Late in the season, melt rates are double that of the bedrock permeability (although only for a few days) and may tend to move laterally at the soil-bedrock interface downgradient and contribute directly to streamflow. ?? Soil Science Society of America.

  18. Topological transitions in Ising models

    CERN Document Server

    Jalal, Somenath; Lal, Siddhartha

    2016-01-01

    The thermal dynamics of the two-dimensional Ising model and quantum dynamics of the one-dimensional transverse-field Ising model (TFIM) are mapped to one another through the transfer-matrix formalism. We show that the fermionised TFIM undergoes a Fermi-surface topology-changing Lifshitz transition at its critical point. We identify the degree of freedom which tracks the Lifshitz transition via changes in topological quantum numbers (e.g., Chern number, Berry phase etc.). An emergent $SU(2)$ symmetry at criticality is observed to lead to a topological quantum number different from that which characterises the ordered phase. The topological transition is also understood via a spectral flow thought-experiment in a Thouless charge pump, revealing the bulk-boundary correspondence across the transition. The duality property of the phases and their entanglement content are studied, revealing a holographic relation with the entanglement at criticality. The effects of a non-zero longitudinal field and interactions tha...

  19. Phase Transition in Tensor Models

    CERN Document Server

    Delepouve, Thibault

    2015-01-01

    Generalizing matrix models, tensor models generate dynamical triangulations in any dimension and support a $1/N$ expansion. Using the intermediate field representation we explicitly rewrite a quartic tensor model as a field theory for a fluctuation field around a vacuum state corresponding to the resummation of the entire leading order in $1/N$ (a resummation of the melonic family). We then prove that the critical regime in which the continuum limit in the sense of dynamical triangulations is reached is precisely a phase transition in the field theory sense for the fluctuation field.

  20. Models and correlations of the DEBRIS Late-Phase Melt Progression Model

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, R.C.; Gasser, R.D. [Sandia National Labs., Albuquerque, NM (United States). Reactor Safety Experiments Dept.

    1997-09-01

    The DEBRIS Late Phase Melt Progression Model is an assembly of models, embodied in a computer code, which is designed to treat late-phase melt progression in dry rubble (or debris) regions that can form as a consequence of a severe core uncover accident in a commercial light water nuclear reactor. The approach is fully two-dimensional, and incorporates a porous medium modeling framework together with conservation and constitutive relationships to simulate the time-dependent evolution of such regions as various physical processes act upon the materials. The objective of the code is to accurately model these processes so that the late-phase melt progression that would occur in different hypothetical severe nuclear reactor accidents can be better understood and characterized. In this report the models and correlations incorporated and used within the current version of DEBRIS are described. These include the global conservation equations solved, heat transfer and fission heating models, melting and refreezing models (including material interactions), liquid and solid relocation models, gas flow and pressure field models, and the temperature and compositionally dependent material properties employed. The specific models described here have been used in the experiment design analysis of the Phebus FPT-4 debris-bed fission-product release experiment. An earlier DEBRIS code version was used to analyze the MP-1 and MP-2 late-phase melt progression experiments conducted at Sandia National Laboratories for the US Nuclear Regulatory Commission.

  1. Observing the chain stretch transition in a highly entangled polyisoprene melt using transient extensional rheometry

    DEFF Research Database (Denmark)

    Nielsen, Jens Kromann; Hassager, Ole; Rasmussen, Henrik K.

    2009-01-01

    We measure the viscoelastic properties of a highly entangled narrow molecular weight polyisoprene melt with approximately 280 entanglements per chain in steady and transient shear and in elongational flows. The storage and loss moduli of the melt are found to be well described by the Milner and M...

  2. Temperature-Induced Liquid-Liquid Transition in Metallic Melts: A Brief Review on the New Physical Phenomenon

    Directory of Open Access Journals (Sweden)

    Fang-Qiu Zu

    2015-03-01

    Full Text Available Understanding the nature of liquid structures and properties remains an open problem for many fundamental and applied fields. It is well known that there is no other defined phase line above liquidus (TL in phase diagrams of ordinary alloys. However, via resorts of internal friction, electric resistivity, thermal analysis, X-ray diffraction, solidification, etc., the results of our research on lots of single- and multiple-component melts show a novel physical image: temperature induced liquid-liquid structure transition (TI-LLST can occur above TL. Moreover, the solidification behaviors and structures out of the melts that experienced TI-LLST are distinct from those out of the melts before TI-LLST. In this paper, some typical examples of TI-LLST and characteristic aspects of the TI-LLST are briefly reviewed, in which the main contents are limited in our own achievements, although other groups have also observed similar phenomena using different methods. In the sense of phenomenology, TI-LLST reported here is quite different from other recognized liquid transitions, i.e., there are only a few convincing cases of liquid P, Si, C, H2O, Al2O3-Y2O3, etc. in which the transition occurs, either induced by pressure or at a supercooled state and near liquidus.

  3. Lithospheric Architecture, Heterogenities, Instabilities, Melting - insight form numerical modelling

    Science.gov (United States)

    Gorczyk, Weronika; Hobbs, Bruce; Ord, Alison; Gessner, Klaus; Gerya, Taras V.

    2010-05-01

    The seismological structure of the Earth's lithosphere is identified to be strongly heterogeneous in terms of thermal and rheological structures. Lithospheric discontinuities (sharp changes in the thermal and/or compositional structure) are thought to be long lived and are mostly correlated with major tectonic boundaries that commonly have been reactivated and which subsequently are the foci of magma intrusion and major mineralization. Resent studies have shown that mantle metasomatism is also controlled by such boundaries. This paper explores the control that lithospheric heterogeneity exerts on the thermal and chemical evolution during deformation subsequent to the development of the heterogeneity. We explore the behaviour of the rheological heterogeneous lithosphere in a compressional regime. The occurrence of such variations may be caused for instance by amalgamation of micro-continents such as is thought to be characteristic of the Yilgarn, Western Australia or South Africa. Theses micro-continents, due to diverse histories may be characterised by various thermal and rheological structures. The models are simplistic but illustrate the basic principles. The code used in this study is based on a conservative finite-difference, multi-grid, marker in cell method. Devolatilisation reactions and melting can affect the physical properties of rocks and are incorporated in a self-consistent manner. We use a petrological-thermomechanical modelling approach with all rock properties including mechanical properties calculated in the Lagrangian scheme for rock markers at every time step based on Gibbs free energy minimization as a function of the local pressure, temperature and rock composition. The results illustrate that initial structural complexity is necessary for and has a dramatic effect on fault and development, the growth of deep basins, core complex formation, melting and devolatilisation within the lithosphere. The horizontal and vertical variation in plastic

  4. A thermo dynamical model for the shape and size effect on melting of boron carbide nanoparticles.

    Science.gov (United States)

    Antoniammal, Paneerselvam; Arivuoli, Dakshanamoorthy

    2012-02-01

    The size and shape dependence of the melting temperature of Boron Carbide (B4C) nanoparticles has been investigated with a numerical thermo dynamical approach. The problem considered in this paper is the inward melting of nanoparticles with spherical and cylindrical geometry. The cylindrical Boron Carbide (B4C) nanoparticles, whose melting point has been reported to decrease with decreasing particle radius, become larger than spherical shaped nanoparticle. Comparative investigation of the size dependence of the melting temperature with respect to the two shapes is also been done. The melting temperature obtained in the present study is approximately a dealing function of radius, in a good agreement with prediction of thermo dynamical model.

  5. Thermodynamic Analyses of the Solid-Liquid Interface and Growth Mode Transition in Undercooled Melts

    Institute of Scientific and Technical Information of China (English)

    刘日平

    2003-01-01

    Free energy change for atoms transferred from liquid on to liquid-solid interface is calculated according to the structural model proposed by Jackson. Relationship among the change in free energy, the fraction of sites on the interface occupied by atoms and the interfacial undercooling is presented. This relationship can be used to judge the possible state that an interface may take, and to predict the corresponding crystal growth mode. For silicon and germanium, the experimentally observed growth mode transition from lateral growth at small undercooling to continuous growth at large undercooling is hardly to be explained by this thermodynamic calculation, which implies that the transition is possibly caused by some dynamic reasons. For nickel, crystallization is carried out only by the continuous mode, which is consistent with the experimental observations.

  6. On the alpha --> beta transition of carbon-coated highly oriented PVDF ultrathin film induced by melt recrystallization.

    Science.gov (United States)

    Wang, Jijun; Li, Huihui; Liu, Jichun; Duan, Yongxin; Jiang, Shidong; Yan, Shouke

    2003-02-12

    Poly(vinylidene fluoride) (PVDF) is one of the polymers which exhibit pronounced polymorphic crystalline forms, depending on crystallization conditions. Four different crystalline modifications, i.e., alpha, beta, gamma, and delta, have been reported so far. Among them, even though the alpha-form is the most common one, the beta-phase is the one that has attracted the widest interest due to its extensive piezo- and pyroelectric applications. During the past few decades, a substantial amount of work has been done in attempts to characterize these crystal modifications and transformations among them. It was well documented that the alpha-form PVDF can be easily obtained through melt crystallization of the PVDF at atmospheric pressure. Its beta-counterpart can, however, only be directly obtained by growth from solution, molecular epitaxy on the surface of potassium bromide, melt crystallization at high pressures, or by applying with a strong electric field. Transformation from its alpha-phase to beta-phase has been achieved by mechanical deformation, while the retransformation could be conducted through melt recrystallization at atmospheric pressure. In the present work, the recrystallization behavior of carbon-coated melt-drawn oriented PVDF ultrathin films at atmospheric pressure was studied by means of transmission electron microscopy and electron diffraction. The results indicate that through vacuum evaporating a thin carbon layer on the surface of highly oriented alpha-PVDF ultrathin film, not only has its high orientation been preserved after a complete melting and recrystallization process, but an alpha --> beta transition of PVDF has also been achieved through melt recrystallization at atmospheric pressure. This technique can be successfully used for preparing highly oriented beta-PVDF ultrathin films, especially patterned microstructures of PVDF with its highly oriented polar beta-phase and nonoriented nonpolar alpha-phase.

  7. Multiphysics modeling of selective laser sintering/melting

    Science.gov (United States)

    Ganeriwala, Rishi Kumar

    A significant percentage of total global employment is due to the manufacturing industry. However, manufacturing also accounts for nearly 20% of total energy usage in the United States according to the EIA. In fact, manufacturing accounted for 90% of industrial energy consumption and 84% of industry carbon dioxide emissions in 2002. Clearly, advances in manufacturing technology and efficiency are necessary to curb emissions and help society as a whole. Additive manufacturing (AM) refers to a relatively recent group of manufacturing technologies whereby one can 3D print parts, which has the potential to significantly reduce waste, reconfigure the supply chain, and generally disrupt the whole manufacturing industry. Selective laser sintering/melting (SLS/SLM) is one type of AM technology with the distinct advantage of being able to 3D print metals and rapidly produce net shape parts with complicated geometries. In SLS/SLM parts are built up layer-by-layer out of powder particles, which are selectively sintered/melted via a laser. However, in order to produce defect-free parts of sufficient strength, the process parameters (laser power, scan speed, layer thickness, powder size, etc.) must be carefully optimized. Obviously, these process parameters will vary depending on material, part geometry, and desired final part characteristics. Running experiments to optimize these parameters is costly, energy intensive, and extremely material specific. Thus a computational model of this process would be highly valuable. In this work a three dimensional, reduced order, coupled discrete element - finite difference model is presented for simulating the deposition and subsequent laser heating of a layer of powder particles sitting on top of a substrate. Validation is provided and parameter studies are conducted showing the ability of this model to help determine appropriate process parameters and an optimal powder size distribution for a given material. Next, thermal stresses upon

  8. Size-dependent melting of nanoparticles: Hundred years of thermodynamic model

    Indian Academy of Sciences (India)

    K K Nanda

    2009-04-01

    Thermodynamic model first published in 1909, is being used extensively to understand the size-dependent melting of nanoparticles. Pawlow deduced an expression for the size-dependent melting temperature of small particles based on the thermodynamic model which was then modified and applied to different nanostructures such as nanowires, prism-shaped nanoparticles, etc. The model has also been modified to understand the melting of supported nanoparticles and superheating of embedded nanoparticles. In this article, we have reviewed the melting behaviour of nanostructures reported in the literature since 1909.

  9. Modeling of velocity field for vacuum induction melting process

    Institute of Scientific and Technical Information of China (English)

    CHEN Bo; JIANG Zhi-guo; LIU Kui; LI Yi-yi

    2005-01-01

    The numerical simulation for the recirculating flow of melting of an electromagnetically stirred alloy in a cylindrical induction furnace crucible was presented. Inductive currents and electromagnetic body forces in the alloy under three different solenoid frequencies and three different melting powers were calculated, and then the forces were adopted in the fluid flow equations to simulate the flow of the alloy and the behavior of the free surface. The relationship between the height of the electromagnetic stirring meniscus, melting power, and solenoid frequency was derived based on the law of mass conservation. The results show that the inductive currents and the electromagnetic forces vary with the frequency, melting power, and the physical properties of metal. The velocity and the height of the meniscus increase with the increase of the melting power and the decrease of the solenoid frequency.

  10. Pressure Induced Liquid-to-Liquid Transition in Zr-based Supercooled Melts and Pressure Quenched Glasses

    Energy Technology Data Exchange (ETDEWEB)

    Dmowski, W.; Gierlotka, S.; Wang, Z.; Yokoyama, Y.; Palosz, B.; Egami, T.

    2017-07-26

    Through high-energy x-ray diffraction and atomic pair density function analysis we find that Zr-based metallic alloy, heated to the supercooled liquid state under hydrostatic pressure and then quenched to room temperature, exhibits a distinct glassy structure. The PDF indicates that the Zr-Zr distances in this glass are significantly reduced compared to those quenched without pressure. Annealing at the glass transition temperature at ambient pressure reverses structural changes and the initial glassy state is recovered. This result suggests that pressure causes a liquid-to-liquid phase transition in this metallic alloy supercooled melt. Such a pressure induced transition is known for covalent liquids, but has not been observed for metallic liquids. The High Pressure Quenched glasses are stable in ambient conditions after decompression.

  11. Effects of Stretching Ratio and Temperature on Phase Transition of Melt-spun Poly (Vinylidene Fluoride) Fibers

    Institute of Scientific and Technical Information of China (English)

    ZHANG Hua; REN Ping; ZHANG Guifang; XIAO Changfa

    2006-01-01

    The effects of stretching ratio and stretching temperature on phase transition of melt-spun poly ( vinylidene fluoride ) fibers were investigated and analyzed by using scanning electron microscopy, wide angle Xray diffraction, differential scanning calorimetry and Fourier transfer infrared spectroscopy. The β phase exists in the as-spun fiber. The β phase content increases as the stretching ratio increases. When the stretching temperature is lower than 100 ℃ , enhancing temperature is good for the transition of phase α to β. By contrast, when the stretching temperature is higher than 100 ℃ , enhancing temperature is unfavourable for the transition of phase α to β. Increasing the draw temperature increases the α-phase content.

  12. Lattice Boltzmann Method Simulation of 3-D Melting Using Double MRT Model with Interfacial Tracking Method

    CERN Document Server

    Li, Zheng; Zhang, Yuwen

    2016-01-01

    Three-dimensional melting problems are investigated numerically with Lattice Boltzmann method (LBM). Regarding algorithm's accuracy and stability, Multiple-Relaxation-Time (MRT) models are employed to simplify the collision term in LBM. Temperature and velocity fields are solved with double distribution functions, respectively. 3-D melting problems are solved with double MRT models for the first time in this article. The key point for the numerical simulation of a melting problem is the methods to obtain the location of the melting front and this article uses interfacial tracking method. The interfacial tracking method combines advantages of both deforming and fixed grid approaches. The location of the melting front was obtained by calculating the energy balance at the solid-liquid interface. Various 3-D conduction controlled melting problems are solved firstly to verify the numerical method. Liquid fraction tendency and temperature distribution obtained from numerical methods agree with the analytical result...

  13. Ex-Vessel Core Melt Modeling Comparison between MELTSPREAD-CORQUENCH and MELCOR 2.1

    Energy Technology Data Exchange (ETDEWEB)

    Robb, Kevin R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Farmer, Mitchell [Argonne National Lab. (ANL), Argonne, IL (United States); Francis, Matthew W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2014-03-01

    System-level code analyses by both United States and international researchers predict major core melting, bottom head failure, and corium-concrete interaction for Fukushima Daiichi Unit 1 (1F1). Although system codes such as MELCOR and MAAP are capable of capturing a wide range of accident phenomena, they currently do not contain detailed models for evaluating some ex-vessel core melt behavior. However, specialized codes containing more detailed modeling are available for melt spreading such as MELTSPREAD as well as long-term molten corium-concrete interaction (MCCI) and debris coolability such as CORQUENCH. In a preceding study, Enhanced Ex-Vessel Analysis for Fukushima Daiichi Unit 1: Melt Spreading and Core-Concrete Interaction Analyses with MELTSPREAD and CORQUENCH, the MELTSPREAD-CORQUENCH codes predicted the 1F1 core melt readily cooled in contrast to predictions by MELCOR. The user community has taken notice and is in the process of updating their systems codes; specifically MAAP and MELCOR, to improve and reduce conservatism in their ex-vessel core melt models. This report investigates why the MELCOR v2.1 code, compared to the MELTSPREAD and CORQUENCH 3.03 codes, yield differing predictions of ex-vessel melt progression. To accomplish this, the differences in the treatment of the ex-vessel melt with respect to melt spreading and long-term coolability are examined. The differences in modeling approaches are summarized, and a comparison of example code predictions is provided.

  14. A computational model for viscous fluid flow, heat transfer, and melting in in situ vitrification melt pools

    Energy Technology Data Exchange (ETDEWEB)

    McHugh, P.R.; Ramshaw, J.D.

    1991-11-01

    MAGMA is a FORTRAN computer code designed to viscous flow in in situ vitrification melt pools. It models three-dimensional, incompressible, viscous flow and heat transfer. The momentum equation is coupled to the temperature field through the buoyancy force terms arising from the Boussinesq approximation. All fluid properties, except density, are assumed variable. Density is assumed constant except in the buoyancy force terms in the momentum equation. A simple melting model based on the enthalpy method allows the study of the melt front progression and latent heat effects. An indirect addressing scheme used in the numerical solution of the momentum equation voids unnecessary calculations in cells devoid of liquid. Two-dimensional calculations can be performed using either rectangular or cylindrical coordinates, while three-dimensional calculations use rectangular coordinates. All derivatives are approximated by finite differences. The incompressible Navier-Stokes equations are solved using a new fully implicit iterative technique, while the energy equation is differenced explicitly in time. Spatial derivatives are written in conservative form using a uniform, rectangular, staggered mesh based on the marker and cell placement of variables. Convective terms are differenced using a weighted average of centered and donor cell differencing to ensure numerical stability. Complete descriptions of MAGMA governing equations, numerics, code structure, and code verification are provided. 14 refs.

  15. Magmatism vs mushmatism: Numerical modelling of melt migration and accumulation in partially molten crust

    Science.gov (United States)

    Roele, Katarina; Jackson, Matthew; Morgan, Joanna

    2016-04-01

    We present a quantitative model of heat and mass transport in a compacting crustal mush created by the repetitive intrusion of mantle-derived basaltic sills. At very low sill emplacement rates, we find that the maximum melt fraction remains small, far below that required to create an eruptible magma, and consistent with purely thermal models published previously. However, at intermediate (and realistic) sill emplacement rates, we observe the formation of a high melt fraction layer within a low melt fraction background. The high melt fraction layer migrates upwards towards the top of the mush (which is defined by the location of the solidus isotherm) and, despite occupying a high melt fraction, the melt in the layer has a composition corresponding to a progressively larger degree of fractionation during upwards migration, because it locally equilibrates with mush at progressively lower temperature. Thus the composition of the melt in the high melt fraction layer becomes progressively more evolved. The high melt fraction layer resembles a conventional magma chamber, but is produced by changes in bulk composition in response to melt migration, rather than the addition of heat. Indeed, such a layer can form even when the mush is cooling overall. The magma within the layer is at sufficiently high melt fraction to be eruptible, but is not located in the hottest region of the mush where the temperature is highest. This is a new method to produce a magma chamber within a crustal mush, and also to evolve the composition of the melt in the chamber. Our results show that high melt fractions need not be associated with high temperature; they also show that eruptible melt fractions can be created at much lower emplacement rates than predicted by purely thermal models. These high melt fractions are transient, and spatially localized within larger mush zones. Moreover, chemical differentiation does not require fractional crystallisation in a largely liquid magma chamber. Our

  16. Modeling the elution of organic chemicals from a melting homogeneous snow pack.

    Science.gov (United States)

    Meyer, Torsten; Wania, Frank

    2011-06-01

    Organic chemicals are often released in peak concentrations from melting snow packs. A simple, mechanistic snowmelt model was developed to simulate and predict the elution of organic substances from melting, homogeneous snow, as influenced by chemical properties and snow pack characteristics. The model calculates stepwise the chemical transport along with the melt water flow in a multi-layered snow pack, based on chemical equilibrium partitioning between the individual bulk snow phases. The model succeeds in reproducing the elution behavior of several organic contaminants observed in previously conducted cold room experiments. The model aided in identifying four different types of enrichment of organic substances during snowmelt. Water soluble substances experience peak releases early during a melt period (type 1), whereas chemicals that strongly sorb to particulate matter (PM) or snow grain surfaces elute at the end of melting (type 2). Substances that are somewhat water soluble and at the same time have a high affinity for snow grain surfaces may exhibit increasing concentrations in the melt water (type 3). Finally, elution sequences involving peak loads both at the beginning and the end of melting are simulated for chemicals that are partially dissolved in the aqueous melt water phase and partially sorbed to PM (type 4). The extent of type 1 enrichment mainly depends on the snow depth, whereby deeper snow generates more pronounced concentration peaks. PM influences the elution behavior of organic chemicals strongly because of the very large natural variability in the type and amount of particles present in snow. Urban and road-side snow rich in PM can generate type 2 concentration peaks at the end of the melt period for even relatively water soluble substances. From a clean, melting snow pack typical for remote regions, even fairly hydrophobic chemicals can be released in type 1 mode while being almost completely dissolved in the aqueous melt water phase. The

  17. Toward a coherent model for the melting behavior of the deep Earth's mantle

    Science.gov (United States)

    Andrault, D.; Bolfan-Casanova, N.; Bouhifd, M. A.; Boujibar, A.; Garbarino, G.; Manthilake, G.; Mezouar, M.; Monteux, J.; Parisiades, P.; Pesce, G.

    2017-04-01

    Knowledge of melting properties is critical to predict the nature and the fate of melts produced in the deep mantle. Early in the Earth's history, melting properties controlled the magma ocean crystallization, which potentially induced chemical segregation in distinct reservoirs. Today, partial melting most probably occurs in the lowermost mantle as well as at mid upper-mantle depths, which control important aspects of mantle dynamics, including some types of volcanism. Unfortunately, despite major experimental and theoretical efforts, major controversies remain about several aspects of mantle melting. For example, the liquidus of the mantle was reported (for peridotitic or chondritic-type composition) with a temperature difference of ∼1000 K at high mantle depths. Also, the Fe partitioning coefficient (DFeBg/melt) between bridgmanite (Bg, the major lower mantle mineral) and a melt was reported between ∼0.1 and ∼0.5, for a mantle depth of ∼2000 km. Until now, these uncertainties had prevented the construction of a coherent picture of the melting behavior of the deep mantle. In this article, we perform a critical review of previous works and develop a coherent, semi-quantitative, model. We first address the melting curve of Bg with the help of original experimental measurements, which yields a constraint on the volume change upon melting (ΔVm). Secondly, we apply a basic thermodynamical approach to discuss the melting behavior of mineralogical assemblages made of fractions of Bg, CaSiO3-perovskite and (Mg,Fe)O-ferropericlase. Our analysis yields quantitative constraints on the SiO2-content in the pseudo-eutectic melt and the degree of partial melting (F) as a function of pressure, temperature and mantle composition; For examples, we find that F could be more than 40% at the solidus temperature, except if the presence of volatile elements induces incipient melting. We then discuss the melt buoyancy in a partial molten lower mantle as a function of pressure

  18. Numerical modeling of inward and outward melting of high temperature PCM in a vertical cylinder

    Science.gov (United States)

    Riahi, S.; Saman, W. Y.; Bruno, F.; Tay, N. H. S.

    2016-05-01

    Numerical study of inward and outward melting of a high temperature PCM in cylindrical enclosures were performed, using FLUENT 15. For validation purposes, numerical modeling of inward melting of a low temperature PCM was initially conducted and the predicted results were compared with the experimental data from the literature. The validated model for the low temperature PCM was used for two high temperature cases; inward melting of a high temperature PCM in a cylindrical enclosure and outward melting in a cylindrical case with higher aspect ratio. The results of this study show that the numerical model developed is capable of capturing the details of melting process with buoyancy driven convection for RaPCM and can be used for the design and optimization of a latent heat thermal storage unit.

  19. A model for foam formation, stability, and breakdown in glass-melting furnaces

    NARCIS (Netherlands)

    Schaaf, J. van der; Beerkens, R.G.C.

    2006-01-01

    A dynamic model for describing the build-up and breakdown of a glass-melt foam is presented. The foam height is determined by the gas flux to the glass-melt surface and the drainage rate of the liquid lamellae between the gas bubbles. The drainage rate is determined by the average gas bubble radius

  20. Theory of a continuous stripe melting transition in a two-dimensional metal: a possible application to cuprate superconductors.

    Science.gov (United States)

    Mross, David F; Senthil, T

    2012-06-29

    We construct a theory of continuous stripe melting quantum phase transitions in two-dimensional metals and the associated Fermi surface reconstruction. Such phase transitions are strongly coupled but yet theoretically tractable in situations where the stripe ordering is destroyed by proliferating doubled dislocations of the charge stripe order. The resulting non-Landau quantum critical point has strong stripe fluctuations which we show decouple dynamically from the Fermi surface even though static stripe ordering reconstructs the Fermi surface. We discuss connections to various stripe phenomena in the cuprates. We point out several puzzling aspects of old experimental results [G. Aeppli et al., Science 278, 1432 (1997)] on singular stripe fluctuations in the cuprates, and provide a possible explanation within our theory. These results may thus have been the first observation of non-Landau quantum criticality in an experiment.

  1. Lamellar thickness transition of melt-crystallized polybuten-1 tetragonal phase: configurational change in chain folding directions

    Institute of Scientific and Technical Information of China (English)

    Motoi YAMASHITA

    2009-01-01

    Lamellar crystal thickness lc of isotactic polybutene-1 (it-PB 1) have been investigated for crystal-lization in the melt over a wide range of crystallization temperature T from 40℃ to 90℃ by small angle X-ray scattering experiments and density measurements. The crystal thickness lc demonstrates two linear dependences on inverse supercooling and a transition from one dependence to the other has been observed around T =65~C. Each of the two dependences obeys the nucleation theory in the high and low supercooling ranges, respec-tively. Chain folding free energy q determined from the low supercooling range is larger than that determined from the high supercooling range. Possible mechanisms for the transition are discussed taking account of entropy of chain folding directions.

  2. Termochemical Models For Slags and Silicate Melts, Review and Perspectives

    Science.gov (United States)

    Ottonello, G.

    Thermochemical models devoted to the comprehension of reactive and mixing properties of silicate melts and slags may be roughly grouped into four main classes: 1) fictive chemical; 2) quasi chemical; 3) fictive structural; 4) polymeric. In the first class we may group the fictive regular mixture approach of Ghiorso and Carmichael [1,2]and its extensions [3-5]and the subregular model of Berman and Brown [6]. To the second class belong the modified quasi chemical approach of Pelton and coworkers [7,8] , and the Kapoor - Froberg cellular model and its extensions [9-11]. The third class has much to share with the second one (and indeed the cellular model could be ascribed to this class as well). To this class belong the "central surround model" of Sastri and Lahiri [12] , the associated solution models of Bjorkman [13], Hastie and coworkers [14]and Goel and coworkers [15], the two sublattice model of Hillert and coworkers [16]and the polynomial expansions of Hoch and Arpshofen [17] . The fourth class encompasses the models of Masson[18-20] , Toop-Samis [21,22]and its extensions [23-25] . The phylosophy beyond each one of the four classes is basically different. Benefits and drawbacks are present in any of them, and applications are often limited to simple systems (or to sufficiently complex systems, in the case of arbitrary deconvolutions of type 1) and to limited P-T ranges. The crucial aspects of the various models will be outlined to some extent. It will be shown that, often, model conflictuality is only appartent and that, in some cases, model failure is unperceived by acritical utilizers. New perspectives in the future research devoted to the comprehension of melt reactivity in compositionally complex systems, with special enphasis on the solubility of gaseous components and unmixing, will be finally discussed. References: [1] Ghiorso M.S. and Carmichael I.S.E. (1980) Contrib. Mineral. Petrol., 71, 323-342. [2] Ghiorso M.S., Carmichael I.S.E., Rivers M.L. and Sack

  3. Degenerate Ising model for atomistic simulation of crystal-melt interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Schulze, T. P., E-mail: schulze@math.utk.edu [Department of Mathematics, University of Tennessee, Knoxville, Tennessee 37996-1300 (United States); Hendy, S. C. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6140 (New Zealand); Department of Physics, University of Auckland, Auckland 1010 (New Zealand)

    2014-02-21

    One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

  4. Degenerate Ising model for atomistic simulation of crystal-melt interfaces

    Science.gov (United States)

    Schebarchov, D.; Schulze, T. P.; Hendy, S. C.

    2014-02-01

    One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

  5. Oxygen isotope trajectories of crystallizing melts: Insights from modeling and the plutonic record

    Science.gov (United States)

    Bucholz, Claire E.; Jagoutz, Oliver; VanTongeren, Jill A.; Setera, Jacob; Wang, Zhengrong

    2017-06-01

    Elevated oxygen isotope values in igneous rocks are often used to fingerprint supracrustal alteration or assimilation of material that once resided near the surface of the earth. The δ18O value of a melt, however, can also increase through closed-system fractional crystallization. In order to quantify the change in melt δ18O due to crystallization, we develop a detailed closed-system fractional crystallization mass balance model and apply it to six experimentally- and naturally-determined liquid lines of descent (LLDs), which cover nearly complete crystallization intervals (melt fractions of 1 to content, will control the specific δ18O path of a crystallizing melt. Hydrous melts, typical of subduction zones, undergo larger increases in δ18O during early stages of crystallization due to their lower magmatic temperatures, greater initial increases in SiO2 content, and high temperature stability of low δ18O phases, such as oxides, amphibole, and anorthitic plagioclase (versus albite). Conversely, relatively dry, tholeiitic melts only experience significant increases in δ18O at degrees of crystallization greater than 80%. Total calculated increases in melt δ18O of 1.0-1.5‰ can be attributed to crystallization from ∼50 to 70 wt.% SiO2 for modeled closed-system crystallizing melt compositions. As an example application, we compare our closed system model results to oxygen isotope mineral data from two natural plutonic sequences, a relatively dry, tholeiitic sequence from the Upper and Upper Main Zones (UUMZ) of the Bushveld Complex (South Africa) and a high-K, hydrous sequence from the arc-related Dariv Igneous Complex (Mongolia). These two sequences were chosen as their major and trace element compositions appear to have been predominantly controlled by closed-system fractional crystallization and their LLDs have been modeled in detail. We calculated equilibrium melt δ18O values using the measured mineral δ18O values and calculated mineral-melt

  6. Oscillatory behavior of vortex-lattice melting transition line in mesoscopic Bi_{2}Sr_{2}CaCu_{2}O_{8+y} superconductors.

    Science.gov (United States)

    Ooi, S; Mochiku, T; Tachiki, M; Hirata, K

    2015-02-27

    The vortex-lattice melting transition of a limited number of vortices confined in mesoscopic square superconductors was studied by c-axis resistance measurements using stacks of intrinsic Josephson junctions in Bi_{2}Sr_{2}CaCu_{2}O_{8+y}. In contrast to the melting transition in bulk crystals, we have first found a clear oscillatory behavior in the field dependence of the melting temperature in small samples of 5-10  μm square. The periods of the oscillations roughly obey the regularity of the matching conditions of square vortex lattices surrounded by a square boundary and the melting temperatures are enhanced around the vortex number of i^{2} (where i is an integer). The results suggest that a confinement effect by the square boundary stabilizes square lattice structures which are realized around i^{2} vortex number even in competition with the favorable Abrikosov triangular lattice in the bulk.

  7. Numerical models of mantle lithosphere weakening, erosion and delamination induced by melt extraction and emplacement

    Science.gov (United States)

    Wallner, Herbert; Schmeling, Harro

    2016-09-01

    Continental rifting caused by extension and heating from below affects the lithosphere or cratons in various ways. Volcanism and melt intrusions often occur along with thinning, weakening and even breaking lithosphere. Although mechanical necking models of the lithosphere are often applied, the aspects of melting and the implications due to melt transport and emplacement at shallower depths are not well understood. A two-phase flow approach employing melt extraction and shallow emplacement associated with thermal weakening is developed and compared with observations. The results of this comparison indicate the importance of partial melts and an asthenospheric magma source for increasing the rising rate of the lithosphere-asthenosphere boundary during extension. Thermo-mechanical physics of visco-plastic flow is approximated using the Finite Difference method with Eulerian formulation in 2D. The conservation of mass, momentum and energy equations are solved for a multi-component (crust-mantle) and two-phase (melt-matrix) system. Rheology is temperature- and stress-dependent. In consideration of depletion and enrichment melting and solidification are controlled by a simplified linear binary solid solution model. Melt is extracted and emplaced in predefined depth regions (emplacement zones) in the lithospheric mantle and crust. The Compaction Boussinesq Approximation was applied; its validity was tested against the Full Compaction formulation and found fully satisfactory for the case of sublithospheric melting models. A simple model guided by the geodynamic situation of the Rwenzori region typically results in updoming asthenosphere with melt-assisted erosion of the lithosphere's base. Even with a conservative approach for a temperature anomaly melting alone doubles the lithospheric erosion rate in comparison with a model without melting. With melt extraction and intrusion lithospheric erosion and upwelling of the lithosphere-asthenosphere boundary speeds up by a

  8. A unifying model for elongational flow of polymer melts and solutions based on the interchain tube pressure concept

    Science.gov (United States)

    Wagner, Manfred Hermann; Rolón-Garrido, Víctor Hugo

    2015-04-01

    An extended interchain tube pressure model for polymer melts and concentrated solutions is presented, based on the idea that the pressures exerted by a polymer chain on the walls of an anisotropic confinement are anisotropic (M. Doi and S. F. Edwards, The Theory of Polymer Dynamics, Oxford University Press, New York, 1986). In a tube model with variable tube diameter, chain stretch and tube diameter reduction are related, and at deformation rates larger than the inverse Rouse time τR, the chain is stretched and its confining tube becomes increasingly anisotropic. Tube diameter reduction leads to an interchain pressure in the lateral direction of the tube, which is proportional to the 3rd power of stretch (G. Marrucci and G. Ianniruberto. Macromolecules 37, 3934-3942, 2004). In the extended interchain tube pressure (EIP) model, it is assumed that chain stretch is balanced by interchain tube pressure in the lateral direction, and by a spring force in the longitudinal direction of the tube, which is linear in stretch. The scaling relations established for the relaxation modulus of concentrated solutions of polystyrene in oligomeric styrene (M. H. Wagner, Rheol. Acta 53, 765-777, 2014, M. H. Wagner, J. Non-Newtonian Fluid Mech. http://dx.doi.org/10.1016/j.jnnfm.2014.09.017, 2014) are applied to the solutions of polystyrene (PS) in diethyl phthalate (DEP) investigated by Bhattacharjee et al. (P. K. Bhattacharjee et al., Macromolecules 35, 10131-10148, 2002) and Acharya et al. (M. V. Acharya et al. AIP Conference Proceedings 1027, 391-393, 2008). The scaling relies on the difference ΔTg between the glass-transition temperatures of the melt and the glass-transition temperatures of the solutions. ΔTg can be inferred from the reported zero-shear viscosities, and the BSW spectra of the solutions are obtained from the BSW spectrum of the reference melt with good accuracy. Predictions of the EIP model are compared to the steady-state elongational viscosity data of PS

  9. Electron Beam Melting and Refining of Metals: Computational Modeling and Optimization

    National Research Council Canada - National Science Library

    Katia Vutova; Veliko Donchev

    2013-01-01

    ..., instrument engineering, electronics, etc. A time-dependent 3D axis-symmetrical heat model for simulation of thermal transfer in metal ingots solidified in a water-cooled crucible at electron beam melting and refining (EBMR) is developed...

  10. Determination of calcium carbonate and sodium carbonate melting curves up to Earth's transition zone pressures with implications for the deep carbon cycle

    Science.gov (United States)

    Li, Zeyu; Li, Jie; Lange, Rebecca; Liu, Jiachao; Militzer, Burkhard

    2017-01-01

    Melting of carbonated eclogite or peridotite in the mantle influences the Earth's deep volatile cycles and bears on the long-term evolution of the atmosphere. Existing data on the melting curves of calcium carbonate (CaCO3) and sodium carbonate (Na2CO3) are limited to 7 GPa and therefore do not allow a full understanding of carbon storage and cycling in deep Earth. We determined the melting curves of CaCO3 and Na2CO3 to the pressures of Earth's transition zone using a multi-anvil apparatus. Melting was detected in situ by monitoring a steep and large increase in ionic conductivity, or inferred from sunken platinum markers in recovered samples. The melting point of CaCO3 rises from 1870 K at 3 GPa to ∼2000 K at 6 GPa and then stays within 50 K of 2000 K between 6 and 21 GPa. In contrast, the melting point of Na2CO3 increases continuously from ∼1123 K at 3 GPa to ∼1950 K at 17 GPa. A pre-melting peak in the alternating current through solid CaCO3 is attributed to the transition from aragonite to calcite V. Accordingly the calcite V-aragonite-liquid invariant point is placed at 13 ± 1 GPa and 1970 ± 40 K, with the Clapeyron slope of the calcite V to aragonite transition constrained at ∼70 K/GPa. The experiments on CaCO3 suggest a slight decrease in the melting temperature from 8 to 13 GPa, followed by a slight increase from 14 to 21 GPa. The negative melting slope is consistent with the prediction from our ab initio simulations that the liquid may be more compressible and become denser than calcite V at sufficiently high pressure. The positive melting slope at higher pressures is supported by the ab initio prediction that aragonite is denser than the liquid at pressures up to 30 GPa. At transition zone pressures the melting points of CaCO3 are comparable to that of Na2CO3 but nearly 400 K and 500 K lower than that of MgCO3. The fusible nature of compressed CaCO3 may be partially responsible for the majority of carbonatitic melts found on Earth's surface

  11. Energy model for the Zr-based metallic glass alloy melt with clusters

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    An energy model for the melt of bulk metallic glass (BMG) with clusters was estab- lished, the Gibbs free energy and interfacial energy for the Zr-Al-Ni ternary alloy melt with Zr2Ni clusters were calculated, and the effects of the clusters on the Gibbs free energy, interfacial energy and nucleation rate were analyzed. The results showed that the existence of the clusters in the Zr-Al-Ni ternary alloy melt enables the Gibbs free energy to decrease in the composition range where bulk metallic glass forms easily, makes the interfacial energy increase and changes the distribu- tion of the interfacial energy with the alloy composition. Because of the clusters in the melt, the Gibbs free energy of the Zr66Al8Ni26 alloy melt decreases about 0.3-1 kJ/mol and the interfacial energy between the melt and crystal nucleus increases about 0.016 J/m2. The nucleation rate of the undercooled Zr66Al8Ni26 alloy melt de- creases evidently under the influence of the clusters on Gibbs free energy and the interfacial energy, and the maximum of the nucleation rate in the melt with the Zr2Ni clusters is only about 107 mol1s1.

  12. Energy model for the Zr-based metallic glass alloy melt with clusters

    Institute of Scientific and Technical Information of China (English)

    YANG YuanSheng; LI HuiQiang; TONG WenHui

    2007-01-01

    An energy model for the melt of bulk metallic glass (BMG) with clusters was established, the Gibbs free energy and interfacial energy for the Zr-Al-Ni ternary alloy melt with Zr2Ni clusters were calculated, and the effects of the clusters on the Gibbs free energy, interfacial energy and nucleation rate were analyzed. The results showed that the existence of the clusters in the Zr-Al-Ni ternary alloy melt enables the Gibbs free energy to decrease in the composition range where bulk metallic glass forms easily, makes the interfacial energy increase and changes the distribution of the interfacial energy with the alloy composition. Because of the clusters in the melt, the Gibbs free energy of the Zr66Al8Ni26 alloy melt decreases about 0.3-1 kJ/mol and the interfacial energy between the melt and crystal nucleus increases about 0.016 J/m2. The nucleation rate of the undercooled Zr66Al8Ni26 alloy melt decreases evidently under the influence of the clusters on Gibbs free energy and the interfacial energy, and the maximum of the nucleation rate in the melt with the Zr2Ni clusters is only about 107 mol-1·s-1.

  13. Transition from melting to carbonization of naphthalene, anthracene, pyrene and coronene at high pressure

    Science.gov (United States)

    Chanyshev, Artem D.; Litasov, Konstantin D.; Shatskiy, Anton F.; Sharygin, Igor S.; Higo, Yuji; Ohtani, Eiji

    2017-09-01

    We have examined the decomposition of naphthalene, anthracene, pyrene and coronene at high pressures and temperatures. Experiments were performed using in situ X-ray diffraction in multianvil apparatus at the SPring-8 synchrotron radiation facility. In the pressure range of 1.5-3.7 GPa decomposition of studied polycyclic aromatic hydrocarbons (PAHs) was detected at 773-973 K. Melting was identified only for naphthalene at 727-730 K and 1.5 GPa. Quenched products analyzed by Raman spectroscopy consist of nano- and microcrystalline graphite. The triple points between solid, liquid and carbonized (decomposed) PAHs were placed at 1-2 GPa and 800-850 K. Analyses of P-V-T data indicate that anthracene and coronene possess very low thermal expansion at 1.3-4.2 GPa. The obtained melting and decomposition parameters for PAH restrict PT-conditions of their formation by local impacts during early planetary history, as well as provide evidences for secondary origin of PAH inclusions in natural mantle minerals from kimberlites.

  14. Modeling the Spreading of Glacial Melt Water from the Amundsen and Bellingshausen Seas

    Science.gov (United States)

    Nakayama, Y.; Timmermann, R.; Rodehacke, C. B.; Schröder, M.; Hellmer, H. H.

    2014-12-01

    The ice shelves and glaciers of the West Antarctic Ice Sheet (WAIS) are rapidly thinning, especially in the Amundsen Sea (AS) and Bellingshausen Sea (BS). The high basal melting of these small ice shelves is caused by relatively warm Circumpolar Deep Water (CDW) that, based on observations, mainly intrudes via two submarine glacial troughs located at the eastern and central AS continental shelf break. When CDW reaches the grounding line of the fringing glaciers, it melts the glaciers and forms buoyant melt water plumes. As the glacial melt becomes part of the AS shelf circulation, it may cause a freshening of the shelf water locally as well as remotely in the Ross Sea (RS). To test whether the observed freshening of the RS is a consequence of the enhanced basal melting of AS ice shelves, we use Finite-Element Sea-ice/ice-shelf/Ocean Model (FESOM) with a horizontal resolution of 2-10 km on the AS and BS continental shelves. The model is forced with 6-hourly atmospheric data from the National Centers for Environmental Prediction Climate Forecast System Reanalysis (NCEP-CFSR) for the period 1979-1988. The model results show bottom temperatures in the AS and BS close to observations, and basal melt rates of AS and BS ice shelves consistent with other observation-based estimates. Using several independent virtual passive tracers to identify pathways of the glacial melt, we find that the melt water from the ice shelves in the AS flows towards the Ross Ice Shelf front. After 10 years of simulation, about half of the melt water in the Ross Sea originates from the Getz Ice Shelf. Further, we investigate the sensitivity of the melt water transport into the RS associated with the strength of the basal melt water flux. When this flux is increased by 30%, the transport of glacial melt into the RS more than doubles, supporting the idea that the basal melting of AS and BS ice shelves is one of the main reasons for the freshening of the RS continental shelf.

  15. Fault rheology beyond frictional melting.

    Science.gov (United States)

    Lavallée, Yan; Hirose, Takehiro; Kendrick, Jackie E; Hess, Kai-Uwe; Dingwell, Donald B

    2015-07-28

    During earthquakes, comminution and frictional heating both contribute to the dissipation of stored energy. With sufficient dissipative heating, melting processes can ensue, yielding the production of frictional melts or "pseudotachylytes." It is commonly assumed that the Newtonian viscosities of such melts control subsequent fault slip resistance. Rock melts, however, are viscoelastic bodies, and, at high strain rates, they exhibit evidence of a glass transition. Here, we present the results of high-velocity friction experiments on a well-characterized melt that demonstrate how slip in melt-bearing faults can be governed by brittle fragmentation phenomena encountered at the glass transition. Slip analysis using models that incorporate viscoelastic responses indicates that even in the presence of melt, slip persists in the solid state until sufficient heat is generated to reduce the viscosity and allow remobilization in the liquid state. Where a rock is present next to the melt, we note that wear of the crystalline wall rock by liquid fragmentation and agglutination also contributes to the brittle component of these experimentally generated pseudotachylytes. We conclude that in the case of pseudotachylyte generation during an earthquake, slip even beyond the onset of frictional melting is not controlled merely by viscosity but rather by an interplay of viscoelastic forces around the glass transition, which involves a response in the brittle/solid regime of these rock melts. We warn of the inadequacy of simple Newtonian viscous analyses and call for the application of more realistic rheological interpretation of pseudotachylyte-bearing fault systems in the evaluation and prediction of their slip dynamics.

  16. 3D spherical models of Martian mantle convection constrained by melting history

    Science.gov (United States)

    Sekhar, Pavithra; King, Scott D.

    2014-02-01

    While most of Tharsis rise was in place by end of the Noachian period, at least one volcano on Tharsis swell (Arsia Mons) has been active within the last 2 Ma. This places an important constraint on mantle convection and on the thermal evolution of Mars. The existence of recent volcanism on Mars implies that adiabatic decompression melting and, hence, upwelling convective flow in the mantle remains important on Mars at present. The thermal history on Mars can be constrained by the history of melt production, specifically generating sufficient melt in the first billion years of the planets history to produce Tharsis rise as well as present day melt to explain recent volcanism. In this work, mantle convection simulations were performed using finite element code CitcomS in a 3D sphere starting from a uniformly hot mantle and integrating forward in time for the age of the solar system. We implement constant and decaying radioactive heat sources; and vary the partitioning of heat sources between the crust and mantle, and consider decreasing core-mantle boundary temperature and latent heat of melting. The constant heat source calculations produce sufficient melt to create Tharsis early in Martian history and continue to produce significant melt to the present. Calculations with decaying radioactive heat sources generate excessive melt in the past, except when all the radiogenic elements are in the crust, and none produce melt after 2 Gyr. Producing a degree-1 or degree-2 structure may not be pivotal to explain the Tharsis rise: we present multi-plume models where not every plume produces melt. The Rayleigh number controls the timing of the first peak of volcanism while late-stage volcanism is controlled more by internal mantle heating. Decreasing the Rayleigh number increases the lithosphere thickness (i.e., depth), and increasing lithosphere thickness increases the mean mantle temperature. Increasing pressure reduces melt production while increasing temperature

  17. Marine ice sheet model performance depends on basal sliding physics and sub-shelf melting

    Science.gov (United States)

    Gladstone, Rupert Michael; Warner, Roland Charles; Galton-Fenzi, Benjamin Keith; Gagliardini, Olivier; Zwinger, Thomas; Greve, Ralf

    2017-01-01

    Computer models are necessary for understanding and predicting marine ice sheet behaviour. However, there is uncertainty over implementation of physical processes at the ice base, both for grounded and floating glacial ice. Here we implement several sliding relations in a marine ice sheet flow-line model accounting for all stress components and demonstrate that model resolution requirements are strongly dependent on both the choice of basal sliding relation and the spatial distribution of ice shelf basal melting.Sliding relations that reduce the magnitude of the step change in basal drag from grounded ice to floating ice (where basal drag is set to zero) show reduced dependence on resolution compared to a commonly used relation, in which basal drag is purely a power law function of basal ice velocity. Sliding relations in which basal drag goes smoothly to zero as the grounding line is approached from inland (due to a physically motivated incorporation of effective pressure at the bed) provide further reduction in resolution dependence.A similar issue is found with the imposition of basal melt under the floating part of the ice shelf: melt parameterisations that reduce the abruptness of change in basal melting from grounded ice (where basal melt is set to zero) to floating ice provide improved convergence with resolution compared to parameterisations in which high melt occurs adjacent to the grounding line.Thus physical processes, such as sub-glacial outflow (which could cause high melt near the grounding line), impact on capability to simulate marine ice sheets. If there exists an abrupt change across the grounding line in either basal drag or basal melting, then high resolution will be required to solve the problem. However, the plausible combination of a physical dependency of basal drag on effective pressure, and the possibility of low ice shelf basal melt rates next to the grounding line, may mean that some marine ice sheet systems can be reliably simulated at

  18. DC ice-melting model for wet-growth icing conductor and its experimental investigation

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Icicles are often formed under the downside surface of conductor in the wet growth icing of overhead power line. When the ice deposit around overhead power line is molten by Joule heat produced by current, the pattern of heat transfer of ice deposit with icicles is dissimilar to that without icicle, so the ice-melting model for the columnar icing conductor cannot be applied to icicle-shaped icing conductor. According to the heat-transfer characteristic of the icicle-shaped icing conductor, this paper puts forward a DC ice-melting model for the icicle-shaped icing conductor. Because this full model includes three-dimensional heat-transfer and interface movement, which cannot be solved in closed form, a finite element scheme in space-domain and a finite difference scheme in time-domain are employed to discretize the governing equations. Firstly the whole ice-melting process on the icicle-shaped icing conductor is simulated by this model. Then the simulated results are validated by ice-melting experiments in the artificial chamber. The study from the model and the experiments shows that the size and length of icicle as well as the space between the adjacent icicles are factors to affect ice-melting. With the shorter icicle space, the bigger icicle size and the longer icicle-length, the surface of ice layer is enlarged and then more heat is taken away by the convection and radiation, so the ice melting time will get longer.

  19. Melt/rock reaction at oceanic peridotite/gabbro transition as revealed by trace element chemistry of olivine

    Science.gov (United States)

    Rampone, Elisabetta; Borghini, Giulio; Godard, Marguerite; Ildefonse, Benoit; Crispini, Laura; Fumagalli, Patrizia

    2016-10-01

    Several recent studies have documented that reactions between melt and crystal mush in primitive gabbroic rocks (via reactive porous flow) have an important control in the formation of the lower oceanic crust and the evolution of MORBs. In this context, olivine-rich rocks can form either by fractional crystallization of primitive melts or by open system reactive percolation of pre-existing (possibly mantle-derived) olivine matrix. To address this question, we performed in-situ trace element analyses (by LA-ICP-MS) of olivine from the Erro-Tobbio ophiolite Unit (Ligurian Alps), where mantle peridotites show gradational contacts with an hectometer-scale body of troctolites and plagioclase wehrlites, and both are cut by later decameter-wide lenses and dykes of olivine gabbros. Previous studies inferred that troctolites and olivine gabbros represent variably differentiated crystallization products from primitive MORB-type melts. Olivines in the three rock types (mantle peridotites, troctolites, olivine gabbros) exhibit distinct geochemical signature and well-defined elemental correlations. As expected, compatible elements (e.g. Ni) show the highest concentrations in peridotites (2580-2730 ppm), intermediate in troctolites (2050-2230 ppm) and lowest in gabbros (1355-1420 ppm), whereas moderate incompatible elements (e.g. Mn, Zn) show the opposite behaviour. By contrast, highly incompatible elements like Zr, Hf, Ti, HREE are variably enriched in olivines of troctolites, and the enrichment in absolute concentrations is coupled to development of significant HFSE/REE fractionation (ZrN/NdN up to 80). AFC modelling shows that such large ZrN/NdN ratios in olivines are consistent with a process of olivine assimilation and plagioclase crystallization at decreasing melt mass, in agreement with textural observations. In-situ trace element geochemistry of olivine, combined with microstructural investigations, thus appears a powerful tool to investigate reactive percolation and the

  20. Experiments on water/melt explosions, nature of products, and models of dispersal

    Science.gov (United States)

    Sheridan, M. F.; Wohletz, K. H.

    1984-01-01

    Experiments were carried out in a steel pressure device using controlled amounts of water and thermite melt to examine the mechanical energy released on explosive mixing following the initial contact of the two materials. An experimental design was used to allow the direct calculation of the mechanical energy by the dynamic lift of the device as recorded both optically and physically. A large number of experiments were run to accurately determine the optimum mixture of water and melt for the conversion of thermal to mechanical energy. The maximum efficiency observed was about 12% at a water/thermite mass ratio of 0.50. These experiments are the basis for the development of models of hydroexplosions and melt fragmentation. Particles collected from the experimental products are similar in size and shape to pyroclasts produced by much larger hydrovolcanic explosions. Melt rupture at optimum ratios produces very fine particles whereas rupture at high or low water/melt ratios produces large melt fragments. Grain surface textures in the experimental products are also related to the water/melt ratio and the mechanism of explosive mixing. It is thus possible to have qualitative information about the nature of the explosion from the sizes and shapes of the fragments produced.

  1. Surface reconstruction precursor to melting in Au309 clusters

    OpenAIRE

    Fuyi Chen; Li, Z. Y.; Roy L. Johnston

    2011-01-01

    The melting of gold cluster is one of essential properties of nanoparticles and revisited to clarify the role played by the surface facets in the melting transition by molecular dynamics simulations. The occurrence of elaborate surface reconstruction is observed using many-body Gupta potential as energetic model for 309-atom (2.6 nm) decahedral, cuboctahedral and icosahedral gold clusters. Our results reveal for the first time a surface reconstruction as precursor to the melting transitions. ...

  2. Melting relations in the system FeCO3-MgCO3 and thermodynamic modelling of Fe-Mg carbonate melts

    Science.gov (United States)

    Kang, Nathan; Schmidt, Max W.; Poli, Stefano; Connolly, James A. D.; Franzolin, Ettore

    2016-09-01

    To constrain the thermodynamics and melting relations of the siderite-magnesite (FeCO3-MgCO3) system, 27 piston cylinder experiments were conducted at 3.5 GPa and 1170-1575 °C. Fe-rich compositions were also investigated with 13 multi-anvil experiments at 10, 13.6 and 20 GPa, 1500-1890 °C. At 3.5 GPa, the solid solution siderite-magnesite coexists with melt over a compositional range of X Mg (=Mg/(Mg + Fetot)) = 0.38-1.0, while at ≥10 GPa solid solution appears to be complete. At 3.5 GPa, the system is pseudo-binary because of the limited stability of siderite or liquid FeCO3, Fe-rich carbonates decomposing at subsolidus conditions to magnetite-magnesioferrite solid solution, graphite and CO2. Similar reactions also occur with liquid FeCO3 resulting in melt species with ferric iron components, but the decomposition of the liquid decreases in importance with pressure. At 3.5 GPa, the metastable melting temperature of pure siderite is located at 1264 °C, whereas pure magnesite melts at 1629 °C. The melting loop is non-ideal on the Fe side where the dissociation reaction resulting in Fe3+ in the melt depresses melting temperatures and causes a minimum. Over the pressure range of 3.5-20 GPa, this minimum is 20-35 °C lower than the (metastable) siderite melting temperature. By merging all present and previous experimental data, standard state (298.15 K, 1 bar) thermodynamic properties of the magnesite melt (MgCO3L) end member are calculated and the properties of (Fe,Mg)CO3 melt fit by a regular solution model with an interaction parameter of -7600 J/mol. The solution model reproduces the asymmetric melting loop and predicts the thermal minimum at 1240 °C near the siderite side at X Mg = 0.2 (3.5 GPa). The solution model is applicable to pressures reaching to the bottom of the upper mantle and allows calculation of phase relations in the FeO-MgO-O2-C system.

  3. Charge Transport in Dendrimer Melt using Multiscale Modeling Simulation

    CERN Document Server

    Bag, Saientan; Maiti, Prabal K

    2016-01-01

    In this paper we present a theoretical calculation of the charge carrier mobility in two different dendrimeric melt system (Dendritic phenyl azomethine with Triphenyl amine core and Dendritic Carbazole with Cyclic Phenylazomethine as core), which have recently been reported1 to increase the efficiency of Dye-Sensitized solar cells (DSSCs) by interface modification. Our mobility calculation, which is a combination of molecular dynamics simulation, first principles calculation and kinetic Monte Carlo simulation, leads to mobilities that are in quantitative agreement with available experimental data. We also show how the mobility depends on the dendrimer generation. Furthermore, we examine the variation of mobility with external electric field and external reorganization energy. Physical mechanisms behind observed electric field and generation dependencies of mobility are also explored.

  4. Using Transiting Planets to Model Starspot Evolution

    CERN Document Server

    Davenport, James R A; Hawley, Suzanne L

    2014-01-01

    Photometry from Kepler has revealed the presence of cool starspots on the surfaces of thousands of stars, presenting a wide range of spot morphologies and lifetimes. Understanding the lifetime and evolution of starspots across the main sequence reveals critical information about the strength and nature of stellar dynamos. We probe the dynamo by modeling the starspot properties over time using Kepler light curves. In particular, we use planetary systems like Kepler 17 that show in-transit starspot crossing features. Spot-occulting transits probe smaller-scale starspot features on the stellar surface along a fixed latitude region. Our approach is novel in modeling both the in- and out-of transit light curve features, allowing us to break fundamental degeneracies between spot size, latitude, and contrast. With continuous monitoring from Kepler we are able to observe small changes in the positions and sizes of spots from many transits, spanning 4 years of data. Additionally, for stars without transiting planets l...

  5. Cold Model Investigations of Melting of Ice in a Gas-Stirred Vessel

    Science.gov (United States)

    Shukla, Ajay Kumar; Dmitry, Ryabov; Volkova, Olena; Scheller, Piotr R.; Deo, Brahma

    2011-02-01

    The melting of steel scrap in high temperature liquid iron melt is investigated by conducting cold model experiments of the melting of ice sample of different geometries and sizes in an argon-stirred vessel containing water. The melting process of ice samples is observed using a high-speed camera. Design of experiments is based on similarity criteria. The relationships between non-dimensional groups related to heat transfer (Nu, Re, Pr, and Gr) are derived for different experimental conditions. The results are compared with those reported in the literature. The heat transfer coefficient is estimated as a function of mixing power and is found to be in good agreement with the calculated values obtained by using reported relationships in literature.

  6. Effects of oxyethylated glycerol cryoprotectants on phase transitions of DPPC model membranes

    Directory of Open Access Journals (Sweden)

    Kasian N. A.

    2015-04-01

    Full Text Available Aim. To determine the effect of the oxyethylated glycerol cryoprotectants (OEGn with polymerization degrees n = 5, 25, 30 on the phase states and phase transitions of dipalmitoylphosphatidylcholine (DPPC-based model membranes. Methods. Differential scanning calorimetry. Results. Model lipid membranes on water/OEGn and water/glycerol subphases with varying cryoprotectant concentrations from 0 to ~ 100 % w/w were studied. A significant raise in the pre-transition and main phase transition temperatures with increasing OEGn concentration was noted whereas the membrane melting peak persist to 100 % w/w OEGn. A sharp increase in the melting enthalpy was observed for OEGn = 5. Conclusions. The solvating ability of the subphase in DPPC membranes decreases in the order water > glycerol > OEGn = 5 > OEGn = 25 > OEGn = 30, which correlates with the relative number of groups effectively contributing to the solvation process.

  7. Modeling Network Transition Constraints with Hypergraphs

    DEFF Research Database (Denmark)

    Harrod, Steven

    2011-01-01

    Discrete time dynamic graphs are frequently used to model multicommodity flows or activity paths through constrained resources, but simple graphs fail to capture the interaction effects of resource transitions. The resulting schedules are not operationally feasible, and return inflated objective...

  8. First-order melting transition observed from resistivity measurements in ultra-pure YBa2Cu3O7-δ single crystals with high twin boundary density

    DEFF Research Database (Denmark)

    Grivel, Jean-Claude; Eltsev, Y.; Andersson, M.

    1999-01-01

    R(T) measurements have been performed on optimally and overdoped heavily twinned high-purity YBa2Cu3O7-delta single crystals, under a magnetic field B oriented parallel to the twin boundary planes (B parallel to c). The characteristic feature attributed to the flux line lattice melting transition...

  9. Influence of CO2 on melting of model granulite facies assemblages - A model for the genesis of charnockites

    Science.gov (United States)

    Wendlandt, R. F.

    1981-01-01

    A model is described for the melting of a simple granulite assemblage, in the presence of CO2-rich fluid phases, which can occur between 750 and 1000 C at crustal pressures and is therefore within the range estimated for such regional metamorphism as that of the Adirondacks. For melting which occurs at about 750 C in the presence of both H2O and CO2, pressures corresponding to the deep crust are required to generate a melt enriched in pyroxene and feldspar components, while melting the precense of pure CO2 at about 1000 C generates analogous melt compositions at lower pressures. These experimental reactions are in keeping with observations constraining charnockite occurrences: (1) pressure and temperature constraints; (2) mineralogical constraints; and (3) constraints on the compositions of volatiles associated with peak conditions of charnockite formation.

  10. A Methodology for Modeling Electromagnetic Confinement Systems: Application to Levitation Melting

    Science.gov (United States)

    El-Kaddah, Nagy; Natarajan, Thinium T.

    A modeling strategy is presented for computing the electromagnetic field and the shape of the molten metal in electromagnetic confinement systems. This strategy involves the use of a hybrid finite element/integral technique to calculate the electromagnetic field and force distribution in the melt. The free surface shape is determined from minimization of electromagnetic, gravitational and surface tension energies using the Lagrange method of multipliers. This approach was applied to model the electromagnetic levitation melting process. The model was found to accurately predict the measured shape of levitated droplets.

  11. Early Earth melt production in a subduction zone, a petrological model

    Science.gov (United States)

    Magni, V.; Bouilhol, P.; Van Hunen, J.; Moyen, J.

    2013-12-01

    A large part of the Archean continental crust is made of a composite rock assemblage dominated by granitoids belonging to the TTG series (tonalite-trondhejmeite-granodiorite). The modus operandi of this sodic granitoids still disputed. If the modern processes leading to continental crust formation at convergent margins are well constrained, the extrapolation to early Earth conditions is hazardous, because the composition of Earth's early crust can be achieved through several processes. However, an 'arc' signature seems to be present in TTGs, suggesting a formation of continental crust in subduction zone settings. Moreover, they show strong similarities with modern adakites, which are thought to be formed by melting of the oceanic subducting crust. We present the results of a study where numerical models of subduction are integrated with a thermodynamic database. Our goal is to investigate under which conditions slab melting can be achieved if at all. We particularly focus our attention on the fate of water, since it is a component that is essential to the formation of TTG series, independently of the petrogenetical scenario preferred. The amount and composition of water bearing fluids in a subduction zone is controlled by slab devolatilization, and influence both the melting regime and the melt composition. Our reference model of an early Earth regime, with a high mantle potential temperature, show that the slab dehydrates early, ending up being composed of a dry eclogites. Importantly, our models show that dehydration melting is not achieved in the slab crust; yet, water-present melting of the 'dry' eclogites can be achieved if a dehydration reaction occurs in the deeper portion of the slab, fuelling the melting reaction with water. Moreover, the dehydration reactions that occurred within the slab are able to metasomatize the overlying mantle wedge, forming hydrated peridotites, that becomes a melt source when dragged down by corner-flow. Our results show the

  12. A RHEOLOGICAL MODEL FOR POLYMER MELTS WITH INTERNAL STRUCTURE IN FLOW FIELDS

    Institute of Scientific and Technical Information of China (English)

    Chi-Xing Zhou

    1999-01-01

    Conceptually, an imagined conformation ellipsoid is supposed to represent the shape of a polymer chain for polymer melts in flow fields and to be equivalent to the volume element in a mathematical sense in continuum mechanics. A power law dependence of shear modulus of polymer melts on detC, referred to as envelope volume, is proposed. Based on those assumptions and the non-linear relation of shear modulus, a phenomenological viscoelastic model is derived. The model is tested in simple shear flow, simple elongational flow, oscillatory shear flow, and relaxation process after flow suddenly stopped. The results show that the model works well to predict the change of internal structure and viscoelastic performance of polymer melts in flow fields.

  13. Transitivity reinforcement in the coevolving voter model

    CERN Document Server

    Malik, Nishant; Lee, Hsuan-Wei; Mucha, Peter J

    2016-01-01

    One of the fundamental structural properties of many networks is triangle closure. Whereas the influence of this transitivity on a variety of contagion dynamics has been previously explored, existing models of coevolving or adaptive network systems use rewiring rules that randomize away this important property. In contrast, we study here a modified coevolving voter model dynamics that explicitly reinforces and maintains such clustering. Employing extensive numerical simulations, we establish that the transitions and dynamical states observed in coevolving voter model networks without clustering are altered by reinforcing transitivity in the model. We then use a semi-analytical framework in terms of approximate master equations to predict the dynamical behaviors of the model for a variety of parameter settings.

  14. A Melting Layer Model for Passive/Active Microwave Remote Sensing Applications. Part 1; Model Formulation and Comparison with Observations

    Science.gov (United States)

    Olson, William S.; Bauer, Peter; Viltard, Nicolas F.; Johnson, Daniel E.; Tao, Wei-Kuo

    2000-01-01

    In this study, a 1-D steady-state microphysical model which describes the vertical distribution of melting precipitation particles is developed. The model is driven by the ice-phase precipitation distributions just above the freezing level at applicable gridpoints of "parent" 3-D cloud-resolving model (CRM) simulations. It extends these simulations by providing the number density and meltwater fraction of each particle in finely separated size categories through the melting layer. The depth of the modeled melting layer is primarily determined by the initial material density of the ice-phase precipitation. The radiative properties of melting precipitation at microwave frequencies are calculated based upon different methods for describing the dielectric properties of mixed phase particles. Particle absorption and scattering efficiencies at the Tropical Rainfall Measuring Mission Microwave Imager frequencies (10.65 to 85.5 GHz) are enhanced greatly for relatively small (approx. 0.1) meltwater fractions. The relatively large number of partially-melted particles just below the freezing level in stratiform regions leads to significant microwave absorption, well-exceeding the absorption by rain at the base of the melting layer. Calculated precipitation backscatter efficiencies at the Precipitation Radar frequency (13.8 GHz) increase in proportion to the particle meltwater fraction, leading to a "bright-band" of enhanced radar reflectivities in agreement with previous studies. The radiative properties of the melting layer are determined by the choice of dielectric models and the initial water contents and material densities of the "seeding" ice-phase precipitation particles. Simulated melting layer profiles based upon snow described by the Fabry-Szyrmer core-shell dielectric model and graupel described by the Maxwell-Garnett water matrix dielectric model lead to reasonable agreement with radar-derived melting layer optical depth distributions. Moreover, control profiles

  15. Melting of Bridgmanite to 135 Gpa: Toward a Coherent Model for the Melting Behavior in the Lower Mantle

    Science.gov (United States)

    Andrault, D.; Pesce, G.; Mezouar, N.

    2015-12-01

    Our knowledge on the melting behavior in the deep mantle remains based on a limited number of experimental and theoretical works. Today, thanks to (i) availability of very brilliant X-ray synchrotron sources and (ii) improved control of the P-T conditions in the laser-heated diamond anvil cell (LH-DAC), the experimental results should reach some agreement about the melting diagrams. However, it is not the case and major controversies remain. For example, liquidi of peridotitic (1) and chondritic-type (2) mantles are reported with a temperature difference of ~1000 K at a pressure of ~90 GPa (corresponding to ~2000 km depth), which cannot be explained by the relatively small compositional difference between these two materials. To bring new insights about the melting properties of the deep mantle, our strategy has been to study the melting curve of the end-member liquidus phase, the (Mg,Fe)(Al,Si)O3 bridgmanite (Bg), before applying a basic thermodynamical approach to the mineralogical system made of Bg, CaSiO3-perovskite and (Mg,Fe)O ferropericlase. Our approach cannot be as formal as currently done for melting in the shallow mantle, due to lack of major thermodynamical parameters. Still, our analysis yields original information, such as the degree of partial melting as a function of P, T and fraction of Bg in the geological material. The Mg/Si ratio in melts can also be addressed. Concerning the controversy between LH-DAC experiments, it can be solved taking into account migration in the temperature gradient of the pseudo-eutectic melt, when the sample starts to melt. This effect is expected to occur more extensively in absence of an insulating material between the sample and the diamond anvils. It yields an overestimation of the liquidus temperature for a given chemical composition, due to loss of the most fusing elements. References:1. Fiquet et al. (2010) Melting of Peridotite to 140 Gigapascals. Science 329, 1516-1518. 2. Andrault et al. (2011) Melting curve of

  16. Modeling and Fitting Exoplanet Transit Light Curves

    Science.gov (United States)

    Millholland, Sarah; Ruch, G. T.

    2013-01-01

    We present a numerical model along with an original fitting routine for the analysis of transiting extra-solar planet light curves. Our light curve model is unique in several ways from other available transit models, such as the analytic eclipse formulae of Mandel & Agol (2002) and Giménez (2006), the modified Eclipsing Binary Orbit Program (EBOP) model implemented in Southworth’s JKTEBOP code (Popper & Etzel 1981; Southworth et al. 2004), or the transit model developed as a part of the EXOFAST fitting suite (Eastman et al. in prep.). Our model employs Keplerian orbital dynamics about the system’s center of mass to properly account for stellar wobble and orbital eccentricity, uses a unique analytic solution derived from Kepler’s Second Law to calculate the projected distance between the centers of the star and planet, and calculates the effect of limb darkening using a simple technique that is different from the commonly used eclipse formulae. We have also devised a unique Monte Carlo style optimization routine for fitting the light curve model to observed transits. We demonstrate that, while the effect of stellar wobble on transit light curves is generally small, it becomes significant as the planet to stellar mass ratio increases and the semi-major axes of the orbits decrease. We also illustrate the appreciable effects of orbital ellipticity on the light curve and the necessity of accounting for its impacts for accurate modeling. We show that our simple limb darkening calculations are as accurate as the analytic equations of Mandel & Agol (2002). Although our Monte Carlo fitting algorithm is not as mathematically rigorous as the Markov Chain Monte Carlo based algorithms most often used to determine exoplanetary system parameters, we show that it is straightforward and returns reliable results. Finally, we show that analyses performed with our model and optimization routine compare favorably with exoplanet characterizations published by groups such as the

  17. Modelling the energy transition in cities

    Energy Technology Data Exchange (ETDEWEB)

    Huber, Felix [Wuppertal Univ. (Germany). Dept. of Civil Engineering; Schwarze, Bjoern; Spiekermann, Klaus; Wegener, Michael [Spiekermann und Wegener Urban and Regional Research, Dortmund (Germany)

    2013-09-01

    The history of cities is a history of energy transitions. In the medieval city heating and cooking occurred with wood and peat. The growth of the industrial city in the 19th century was built on coal and electricity. The sprawling metropolis of the 20th century was made possible by oil and gas. How will the city of the 21st century look after the next energy transition from fossil to renewable energy? This paper reports on the extension of an urban land-use transport interaction model to a model of the energy transition in the Ruhr Area, a five-million agglomeration in Germany. The paper presents the planned model extensions and how they are to be integrated into the model and shows first preliminary results.

  18. Optimization models in a transition economy

    CERN Document Server

    Sergienko, Ivan V; Koshlai, Ludmilla

    2014-01-01

    This book opens new avenues in understanding mathematical models within the context of a  transition economy. The exposition lays out the methods for combining different mathematical structures and tools to effectively build the next model that will accurately reflect real world economic processes. Mathematical modeling of weather phenomena allows us to forecast certain essential weather parameters without any possibility of changing them. By contrast, modeling of transition economies gives us the freedom to not only predict changes in important indexes of all types of economies, but also to influence them more effectively in the desired direction. Simply put: any economy, including a transitional one, can be controlled. This book is useful to anyone who wants to increase profits within their business, or improve the quality of their family life and the economic area they live in. It is beneficial for undergraduate and graduate students specializing in the fields of Economic Informatics, Economic Cybernetic...

  19. A Holographic Model of Quantum Hall Transition

    CERN Document Server

    Mezzalira, Andrea

    2015-01-01

    We consider a phenomenological holographic model, inspired by the D3/D7 system with a 2+1 dimensional intersection, at finite chemical potential and magnetic field. At large 't Hooft coupling the system is unstable and needs regularization; the UV cutoff can be decoupled by considering a certain double scaling limit. At finite chemical potential the model exhibits a phase transition between states with filling fractions plus and minus one--half as the magnetic field is varied. By varying the parameters of the model, this phase transition can be made to happen at arbitrary values of the magnetic field.

  20. Dynamo transition in low-dimensional models.

    Science.gov (United States)

    Verma, Mahendra K; Lessinnes, Thomas; Carati, Daniele; Sarris, Ioannis; Kumar, Krishna; Singh, Meenakshi

    2008-09-01

    Two low-dimensional magnetohydrodynamic models containing three velocity and three magnetic modes are described. One of them (nonhelical model) has zero kinetic and current helicity, while the other model (helical) has nonzero kinetic and current helicity. The velocity modes are forced in both these models. These low-dimensional models exhibit a dynamo transition at a critical forcing amplitude that depends on the Prandtl number. In the nonhelical model, dynamo exists only for magnetic Prandtl number beyond 1, while the helical model exhibits dynamo for all magnetic Prandtl number. Although the model is far from reproducing all the possible features of dynamo mechanisms, its simplicity allows a very detailed study and the observed dynamo transition is shown to bear similarities with recent numerical and experimental results.

  1. Melt nucleating and the three-dimension steady model of the temperature fluctuation with convection

    Institute of Scientific and Technical Information of China (English)

    Mingwen Chen; Renji Sun; Zidong Wang; Fengying Wang

    2005-01-01

    A three-dimensional steady model of temperature fluctuation with melt convection is studied. It is proved that there exists a unique and stable solution in the model and the solution is expressed in a Fourier series form. It theoretically conf1rms the mechanism of melt nucleating: as long as the convection with transverse directions exists, the melt temperature on the front of the solidliquid interface would be not only periodical along the direction which is perpendicular to the direction of crystal growth, but also oscillatory and exponential decay along the direction of crystal growth; this oscillatory property, i.e. temperature fluctuation, leads to local supercooling, accelerates local temperature fluctuation and then results in a large number of nuclei.

  2. A transitions model for sustainable mobility

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, Jonathan [Fraunhofer-Institut fuer System- und Innovationsforschung ISI (Germany); Whitmarsh, Lorraine; Haxeltine, Alex [Tyndall Centre for Climate Change Research, ZICER, School of Environmental Sciences, University of East Anglia, Norwich, Norfolk, NR4 7TJ (United Kingdom); Nykvist, Bjoern [Stockholm Environment Institute, Kraeftriket 2B, SE-106 91 Stockholm (Sweden); Schilperoord, Michel [UCD Innovation Research Unit (IRU), Complex Adaptive Systems Laboratory CASL, University College Dublin 8 Belfield Office Park, Beaver Row, Clonskeagh, Dublin 4 (Ireland); Bergman, Noam [Environmental Change Institute, Oxford University Centre for the Environment, South Parks Road, Oxford, OX1 3QY (United Kingdom)

    2009-10-15

    This paper reports on the development of a model for assessing transitions to sustainable mobility. The model uses the concepts of transition theory as a framework for assessing possible pathways by which a transition to a sustainable mobility society might happen. The modelling approach combines agent-based modelling techniques with a system dynamics structure. It is original in that there are two levels of agent. There are a small number of complex agents, which have an internal structure and are therefore subsystems within society, and a larger number of simple agents. Based on the UK data, the results show that Hydrogen Fuel Cell Vehicles (FCVs) come to dominate, but only in the very long run (after 2030), while biofuels and ICE (Internal Combustion Engine)-electric hybrids are the main alternatives to the regime in the next 10-30 years, because a) they are already developed and b) they fit better into current infrastructures. The model shows that technological transitions are most likely. Lifestyle change transitions require sustained pressure from the environment on society and behavioural change from consumers. (author)

  3. Operationalizing resilience using state and transition models

    Science.gov (United States)

    In management, restoration, and policy contexts, the notion of resilience can be confusing. Systematic development of conceptual models of ecological state change (state transition models; STMs) can help overcome semantic confusion and promote a mechanistic understanding of resilience. Drawing on ex...

  4. The modeling of core melting and in-vessel corium relocation in the APRIL code

    Energy Technology Data Exchange (ETDEWEB)

    Kim. S.W.; Podowski, M.Z.; Lahey, R.T. [Rensselaer Polytechnic Institute, Troy, NY (United States)] [and others

    1995-09-01

    This paper is concerned with the modeling of severe accident phenomena in boiling water reactors (BWR). New models of core melting and in-vessel corium debris relocation are presented, developed for implementation in the APRIL computer code. The results of model testing and validations are given, including comparisons against available experimental data and parametric/sensitivity studies. Also, the application of these models, as parts of the APRIL code, is presented to simulate accident progression in a typical BWR reactor.

  5. Modeling Microfabricated Multipoint Fuze Initiators Part 1: Pre-Melting Behavior

    Science.gov (United States)

    2008-01-01

    investigate the possibility of modeling the problem with fluid mechanics using a hypothetical fluid with a large, non - Newtonian viscosity. It may also be...the coupling of a fluid mechanics code with the existing solid mechanics model. Portions of the model should quickly reach evaporation temperatures...material and substrate, which will allow accurately-modeled heat transfer and fluid -structure interaction as the bridge wire melts and expands. We plan

  6. A Model of Mental State Transition Network

    Science.gov (United States)

    Xiang, Hua; Jiang, Peilin; Xiao, Shuang; Ren, Fuji; Kuroiwa, Shingo

    Emotion is one of the most essential and basic attributes of human intelligence. Current AI (Artificial Intelligence) research is concentrating on physical components of emotion, rarely is it carried out from the view of psychology directly(1). Study on the model of artificial psychology is the first step in the development of human-computer interaction. As affective computing remains unpredictable, creating a reasonable mental model becomes the primary task for building a hybrid system. A pragmatic mental model is also the fundament of some key topics such as recognition and synthesis of emotions. In this paper a Mental State Transition Network Model(2) is proposed to detect human emotions. By a series of psychological experiments, we present a new way to predict coming human's emotions depending on the various current emotional states under various stimuli. Besides, people in different genders and characters are taken into consideration in our investigation. According to the psychological experiments data derived from 200 questionnaires, a Mental State Transition Network Model for describing the transitions in distribution among the emotions and relationships between internal mental situations and external are concluded. Further more the coefficients of the mental transition network model were achieved. Comparing seven relative evaluating experiments, an average precision rate of 0.843 is achieved using a set of samples for the proposed model.

  7. Modelling the crystal growth in highly undercooled alloy melts by non-isothermal phase-field method

    Institute of Scientific and Technical Information of China (English)

    Li Mei-E; Yang Gen-Cang; Zhou Yao-He

    2005-01-01

    A non-isothermal phase-field model is used to simulate the rapid solidification of highly undercooled alloy melts.The influence of undercooling on the solidification process is studied. It is indicated that with the increase of undercooling, the dendrite morphology changes from poorly developed dendrite, via the well-developed dendrite containing secondary and ternary arms, to the compact diamond-shaped grain. With increasing undercooling, the tip radius changes in the following rule: decrease → increase → decrease while the growth velocity increases constantly, which is consistent with the results predicted by the Boettinger-Coriell-Trivedi model. The thermal, solutal and kinetic undercooling contributions under different initial undercooling are also determined. It is shown that when the undercooling is increased beyond a certain value, the thermal undercooling contribution exceeds the solutal contribution and the dendrite growth transits from solutal diffusion controlled to thermal diffusion controlled one.

  8. Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls

    Science.gov (United States)

    Solar, M.; Binder, K.; Paul, W.

    2017-05-01

    Molecular dynamics simulations of a chemically realistic model for 1,4-polybutadiene in a thin film geometry confined by two graphite walls are presented. Previous work on melts in the bulk has shown that the model faithfully reproduces static and dynamic properties of the real material over a wide temperature range. The present work studies how these properties change due to nano-confinement. The focus is on orientational correlations observable in nuclear magnetic resonance experiments and on the local intermediate incoherent neutron scattering function, Fs(qz, z, t), for distances z from the graphite walls in the range of a few nanometers. Temperatures from about 2Tg down to about 1.15Tg, where Tg is the glass transition temperature in the bulk, are studied. It is shown that weakly attractive forces between the wall atoms and the monomers suffice to effectively bind a polymer coil that is near the wall. For a wide regime of temperatures, the Arrhenius-like adsorption/desorption kinetics of the monomers is the slowest process, while very close to Tg the Vogel-Fulcher-Tammann-like α-relaxation takes over. The α-process is modified only for z ≤1.2 nm due to the density changes near the walls, less than expected from studies of coarse-grained (bead-spring-type) models. The weakness of the surface effects on the glass transition in this case is attributed to the interplay of density changes near the wall with the torsional potential. A brief discussion of pertinent experiments is given.

  9. Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

    Energy Technology Data Exchange (ETDEWEB)

    Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

    2012-11-15

    Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

  10. Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Wen-Sheng, E-mail: wsxu@uchicago.edu [James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Freed, Karl F., E-mail: freed@uchicago.edu [James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States)

    2015-07-14

    The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in Paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear telechelic polymer melts. Our calculations imply that chain stiffness promotes self-assembly of linear telechelic polymer melts that assemble on cooling when either polymer volume fraction ϕ or temperature T is high, but opposes self-assembly when both ϕ and T are sufficiently low. This allows us to identify a boundary line in the ϕ-T plane that separates two regions of qualitatively different influence of chain stiffness on self-assembly. The enthalpy and entropy of self-assembly are usually treated as adjustable parameters in classical Flory-Huggins type theories for the equilibrium self-assembly of polymers, but they are demonstrated here to strongly depend on chain stiffness. Moreover, illustrative calculations for the dependence of the entropy density of linear telechelic polymer melts on chain stiffness demonstrate the importance of including semiflexibility within the LCT when exploring the nature of glass formation in models of linear telechelic polymer melts.

  11. Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties

    Science.gov (United States)

    Xu, Wen-Sheng; Freed, Karl F.

    2015-07-01

    The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in Paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear telechelic polymer melts. Our calculations imply that chain stiffness promotes self-assembly of linear telechelic polymer melts that assemble on cooling when either polymer volume fraction ϕ or temperature T is high, but opposes self-assembly when both ϕ and T are sufficiently low. This allows us to identify a boundary line in the ϕ-T plane that separates two regions of qualitatively different influence of chain stiffness on self-assembly. The enthalpy and entropy of self-assembly are usually treated as adjustable parameters in classical Flory-Huggins type theories for the equilibrium self-assembly of polymers, but they are demonstrated here to strongly depend on chain stiffness. Moreover, illustrative calculations for the dependence of the entropy density of linear telechelic polymer melts on chain stiffness demonstrate the importance of including semiflexibility within the LCT when exploring the nature of glass formation in models of linear telechelic polymer melts.

  12. Simple models for shear flow transition

    Science.gov (United States)

    Barkley, Dwight

    2011-11-01

    I will discuss recent developments in modeling transitional shear flows with simple two-variable models. Both pipe flow and plane Couette flow are considered. The essential insight is that most large-scale features of these shear flows can be traced to a change from excitability to bistability in the local dynamics. Models are presented in two variables, turbulence intensity and mean shear. A PDE model of pipe flow captures the essence of the puff-slug transition as a change from excitability to bistability. Extended models with turbulence as deterministic transient chaos or multiplicative noise reproduce almost all large-scale features of transitional pipe flow. In particular they capture metastable localized puffs, puff splitting, slugs, localized edge states, a continuous transition to sustained turbulence via spatiotemporal intermittency (directed percolation), and a subsequent increase in turbulence fraction towards uniform, featureless turbulence. A model that additionally takes into account the symmetries of plane Couette flow reproduces localized turbulence and periodic turbulent-laminar bands.

  13. Modeling the subsolidus evolution of melt-depleted peridotite residues beneath the continents

    Science.gov (United States)

    Brown, E. L.; Lesher, C. E.; Baker, M. B.; Schutt, D.

    2012-12-01

    The origin and stabilization of subcontinental lithospheric mantle is a consequence of 1) partial melting of peridotitic mantle in mid-ocean ridge, intraplate and/or subduction zone settings, 2) underplating of the melt-depleted residue beneath the continents as a consequence of either plume-head melting or tectonic mechanisms, 3) subsolidus evolution of the residual solid, and 4) metasomatic transformations. The evolution of phase compositions and modes within the lithospheric mantle as a consequence of these processes, and the resulting density structure, are essential to understanding the preservation or convective removal of lithosphere. Whereas melting experiments provide constraints on the range of compositions possible for either fertile or depleted peridotite, the effects of pressure and temperature changes below the solidus on peridotite mineralogy and density remain challenging to quantify. These difficulties have important implications, particularly with regard to the density structure of the lithosphere and the mechanisms enabling long-term stabilization of subcontinental lithospheric mantle. To calculate the effects of changes in P, T, and bulk composition on the subsolidus mineralogy and density of peridotite lithologies, we have coupled the algorithm of [1], which calculates modes and phase compositions of subsolidus peridotite by mass balance constrained by experimentally-determined mineral-mineral exchange and distribution coefficients with the algorithm of [2], which calculates densities at P and T conditions suitable to the upper mantle using mineral physics data. We benchmark our approach against the thermodynamic models pMELTS and PERPLE_X using recently published peridotite melting experimental data, and show that our estimates of mineral modes and compositions typically provide improvements to the fits of experimental results. We also show that our density calculations are similar to those predicted by these thermodynamic models when using

  14. [Research on direct forming of comminuted fracture surgery orienting model by selective laser melting].

    Science.gov (United States)

    He, Xingrong; Yang, Yongqiang; Wu, Weihui; Wang, Di; Ding, Huanwen; Huang, Weihong

    2010-06-01

    In order to simplify the distal femoral comminuted fracture surgery and improve the accuracy of the parts to be reset, a kind of surgery orienting model for the surgery operation was designed according to the scanning data of computer tomography and the three-dimensional reconstruction image. With the use of DiMetal-280 selective laser melting rapid prototyping system, the surgery orienting model of 316L stainless steel was made through orthogonal experiment for processing parameter optimization. The technology of direct manufacturing of surgery orienting model by selective laser melting was noted to have obvious superiority with high speed, precise profile and good accuracy in size when compared with the conventional one. The model was applied in a real surgical operation for thighbone replacement; it worked well. The successful development of the model provides a new method for the automatic manufacture of customized surgery model, thus building a foundation for more clinical applications in the future.

  15. A Model for Molten Fuel-Coolant Interaction during Melt Slumping in a Nuclear Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Sohal, Manohar Singh; Siefken, Larry James

    1999-10-01

    This paper describes a simple fuel melt slumping model to replace the current parametric model in SCDAP/RELAP5. Specifically, a fuel-coolant interaction (FCI) model is developed to analyze the slumping molten fuel, molten fuel breakup, heat transfer to coolant, relocation of the molten droplets, size of a partially solidified particles that settle to the bottom of the lower plenum, and melt-plenum interaction, if any. Considering our objectives, the molten fuel jet breakup model, and fuel droplets Lagrangian model as included in a code TEXAS-V with Eulerian thermal hydraulics for water and steam from SCDAP/RELAP5 were used. The model was assessed with experimental data from MAGICO-2000 tests performed at University of California at Santa Barbara, and FARO Test L-08 performed at Joint Research Center, Ispra, Italy. The comparison was found satisfactory.

  16. Models to estimate viscosities of ternary metallic melts and their comparisons

    Institute of Scientific and Technical Information of China (English)

    王习东; 李文超

    2003-01-01

    Three models, based on Chou's general geometric thermodynamic model, to predict the viscosity of ternary metallic melts have been established. The calculation equations of the model have been deduced. The experimental viscosity data of Ag-Au-Cu systems were used to verify the models and the calculation results with the models are consistent with the reported experimental data. The advantages, requirement and applicability of the models have been analyzed and compared. The models have also been utilized to predict the viscosity of Ag-Sn-Cu system. The viscosity of the system was experimentally measured and the results are consistent with the calculated value of the models.

  17. Two—Dimensional Mathematical Model and Numerical Simulation Describing the Melting Process of Cylindrical Basalt Bed

    Institute of Scientific and Technical Information of China (English)

    YanQuanying; ShangDeku; 等

    1999-01-01

    A two-dimensional mathematical model was built to describe the melting process of cylindrical basalt particle bed in a crucible.The melting processes with respect to the factors of thermal boundary conditions and particle sizes of basalt were simulated by using the numerical method (FDM).The governing equations were discretized in tridiagonal matrix form and were solved by using the tridiagonal matrix algorithm (TDMA) as well as the alternative direction implicit(ADI) solver.The temperature distribution,the moving law of the two dimensional phase-change boundaries the thermal current distribution were given through the numerical simulation.The results provided a theoretical basis for deciding heating procedure,for evaluating power import and controlling furnace temperature and for predicting basalt melting states etc.In the experiment,an electrical furnace was designed based on the computations.It has been proved that the simulation results are reasonably coincident with the experimental data.

  18. Ionic-polymeric models and the amphoteric behavior of water in silicate melts

    Science.gov (United States)

    Moretti, R.

    2012-04-01

    In silicate melts it is almost impossible to readily distinguish solute and solvent like in aqueous solutions. The anionic framework of silicate melts, in fact, makes solute and solvents so intimately related that one cannot identify a solvation shell and identify directly, from structural studies, the complexes needed to define acid-base reactions. Therefore, the distinction between solute and solvent becomes blurred in systems such as silicate melts, because speciation is not only complex but changes with the marked depolymerization of the silicate framework that obtains from pure SiO2 to metal-oxide rich compositions. These features do not allow proper understanding of the actual physico-chemical role of many species detected by conventional techniques, a fact which can lead to confusing notation. However, these may not be serious limits to account correctly for the acid-base reactions that take place in every kind of magmatic setting, provided a 'syntax' describing the effective interactions among significative cationic and anionic entities. In particular, the syntax for acid-base exchanges is needed such that constituting oxides (i.e. chemical components) can be treated independently of (but not necessarily extraneous to) structural features in defining such entities. So-called ionic-polymeric models highlight the mutual correspondence between polymerization and acid-base properties of dissolved oxides through the Lux-Flood formalism for molten oxides. They thus provide the syntax to write chemical exchanges, but have no pretension to structural description. In fact the concept of melt polymerization is used to identify basic anions and cations that can be used, along with their formal charge, to describe effectively acid-base interactions taking place in melts. In this respect, an example is given by the description of the amphoteric behavior of water dissolved on melts, hence water autoprotolysis. Although it exerts a profound influence on properties of

  19. Surface reconstruction precursor to melting in Au309 clusters

    Directory of Open Access Journals (Sweden)

    Fuyi Chen

    2011-09-01

    Full Text Available The melting of gold cluster is one of essential properties of nanoparticles and revisited to clarify the role played by the surface facets in the melting transition by molecular dynamics simulations. The occurrence of elaborate surface reconstruction is observed using many-body Gupta potential as energetic model for 309-atom (2.6 nm decahedral, cuboctahedral and icosahedral gold clusters. Our results reveal for the first time a surface reconstruction as precursor to the melting transitions. The surface reconstruction lead to an enhanced melting temperature for (100 faceted decahedral and cuboctahedral cluster than (111 faceted icosahedral gold cluster, which form a liquid patch due to surface vacancy.

  20. A finite volume alternate direction implicit approach to modeling selective laser melting

    DEFF Research Database (Denmark)

    Hattel, Jesper Henri; Mohanty, Sankhya

    2013-01-01

    is proposed for modeling single-layer and few-layers selective laser melting processes. The ADI technique is implemented and applied for two cases involving constant material properties and non-linear material behavior. The ADI FV method consume less time while having comparable accuracy with respect to 3D...... to accurately simulate the process, are constrained by either the size or scale of the model domain. A second challenging aspect involves the inclusion of non-linear material behavior into the 3D implicit FE models. An alternating direction implicit (ADI) method based on a finite volume (FV) formulation......Over the last decade, several studies have attempted to develop thermal models for analyzing the selective laser melting process with a vision to predict thermal stresses, microstructures and resulting mechanical properties of manufactured products. While a holistic model addressing all involved...

  1. Melt flow behaviour of poly-epsilon-caprolactone in fused deposition modelling.

    Science.gov (United States)

    Ramanath, H S; Chua, C K; Leong, K F; Shah, K D

    2008-07-01

    Fused deposition modelling (FDM) is an extrusion based Rapid prototyping (RP) technique which can be used to fabricate tissue engineering scaffolds. The present work focuses on the study of the melt flow behaviour (MFB) of Poly-epsilon-caprolactone (PCL) as a representative biomaterial, on the FDM. The MFB significantly affects the quality of the scaffold which depends not only on the pressure gradient, its velocity, and the temperature gradients but also physical properties like the melt temperature and rheology. The MFB is studied using two methods: mathematical modelling and finite element analysis (FEA) using Ansys(R). The MFB is studied using accurate channel geometry by varying filament velocity at the entry and by varying nozzle diameters and angles at the exit. The comparative results of both mathematical modelling and FEA suggest that the pressure drop and the velocities of the melt flow depend on the flow channel parameters. One inference of particular interest is the temperature gradient of the PCL melt, which shows that it liquefies within 35% of the channel length. These results are invaluable to better understand the MFB of biomaterials that affects the quality of the scaffold built via FDM and can also be used to predict the MFB of other biomaterials.

  2. Prediction of melting temperatures in fluorescence in situ hybridization (FISH) procedures using thermodynamic models.

    Science.gov (United States)

    Fontenete, Sílvia; Guimarães, Nuno; Wengel, Jesper; Azevedo, Nuno Filipe

    2016-01-01

    The thermodynamics and kinetics of DNA hybridization, i.e. the process of self-assembly of one, two or more complementary nucleic acid strands, has been studied for many years. The appearance of the nearest-neighbor model led to several theoretical and experimental papers on DNA thermodynamics that provide reasonably accurate thermodynamic information on nucleic acid duplexes and allow estimation of the melting temperature. Because there are no thermodynamic models specifically developed to predict the hybridization temperature of a probe used in a fluorescence in situ hybridization (FISH) procedure, the melting temperature is used as a reference, together with corrections for certain compounds that are used during FISH. However, the quantitative relation between melting and experimental FISH temperatures is poorly described. In this review, various models used to predict the melting temperature for rRNA targets, for DNA oligonucleotides and for nucleic acid mimics (chemically modified oligonucleotides), will be addressed in detail, together with a critical assessment of how this information should be used in FISH.

  3. Melting trends over the Greenland ice sheet (1958–2009) from spaceborne microwave data and regional climate models

    NARCIS (Netherlands)

    Fettweis, X.; Tedesco, M.; van den Broeke, M.R.|info:eu-repo/dai/nl/073765643; Ettema, J.|info:eu-repo/dai/nl/304831913

    2011-01-01

    To study near-surface melt changes over the Greenland ice sheet (GrIS) since 1979, melt extent estimates from two regional climate models were compared with those obtained from spaceborne microwave brightness temperatures using two different remote sensing algorithms. The results from the two models

  4. Experimental investigation and modelling of heat capacity, heat of fusion and melting interval of rocks

    Energy Technology Data Exchange (ETDEWEB)

    Leth-Miller, R.; Jensen, A.D.; Glarborg, P.; Jensen, L.M.; Hansen, P.B.; Joergensen, S.B

    2003-11-28

    The heat capacity and heat of fusion were measured for a number of minerals using differential scanning calorimetry (DSC). The DSC measurements showed that the heat of fusion for the minerals is very low compared to the heat of fusion for pure crystalline phases reported elsewhere. A model for the melting behaviour of mineral materials in terms of melting interval, heat capacities and heat of fusion has been developed. The only model input is the chemical composition of the mineral material. The model was developed to be implemented in a detailed model of a cupola furnace, thus the focus for the development was not only precision but also to obtain a model that was continuous and differentiable. The model is based on several different submodels that each covers a part of the heating and melting of rocks. Each submodel is based on large amounts of empirical data. Comparison of the model and the DSC measurements showed reasonable agreement for the model to be used when a fast estimate is needed and experimental data is not available.

  5. Arctic melt ponds and bifurcations in the climate system

    CERN Document Server

    Sudakov, Ivan; Golden, Kenneth M

    2014-01-01

    Understanding how sea ice melts is critical to climate projections. In the Arctic, melt ponds that develop on the surface of sea ice floes during the late spring and summer largely determine their albedo $-$ a key parameter in climate modeling. Here we explore the possibility of a simple sea ice climate model passing through a bifurcation point $-$ an irreversible critical threshold as the system warms, by incorporating geometric information about melt pond evolution. This study is based on a nonlinear phase transition model for melt ponds, and bifurcation analysis of a simple climate model with ice - albedo feedback as the key mechanism driving the system to a potential bifurcation point.

  6. Modeling the field of laser welding melt pool by RBFNN

    CERN Document Server

    Bracic, A Borstnik; Grabec, I

    2007-01-01

    Efficient control of a laser welding process requires the reliable prediction of process behavior. A statistical method of field modeling, based on normalized RBFNN, can be successfully used to predict the spatiotemporal dynamics of surface optical activity in the laser welding process. In this article we demonstrate how to optimize RBFNN to maximize prediction quality. Special attention is paid to the structure of sample vectors, which represent the bridge between the field distributions in the past and future.

  7. Analytical model describing the relationship between laser power, beam velocity and melt pool depth in the case of laser (re)melting, -alloying and -dispersing

    NARCIS (Netherlands)

    Römer, Gerardus Richardus, Bernardus, Engelina; Meijer, J.; Beckmann, Leo H.J.F.

    1997-01-01

    Laser surface treatment, more specifically laser - (re)melting, -alloying and -dispersing, are techniques for improving wear, fatigue and erosion resistance of mechanical parts, using high power lasers. Analytical models which decrease these processes in a simplified way can be helpful for (a)

  8. Monitoring and Modelling Glacier Melt and Runoff on Juncal Norte Glacier, Aconcagua River Basin, Central Chile

    Science.gov (United States)

    Pellicciotti, F.; Helbing, J. F.; Araos, J.; Favier, V.; Rivera, A.; Corripio, J.; Sicart, J. M.

    2006-12-01

    Results from a recent glacio-meteorological experiment on the Juncal Norte glacier, in central Chile, are presented. Melt water is a crucial resource in the Central Andes, as it provides drinking water, water for agriculture and for industrial uses. There is also increasing competition for water use and allocation, as water demands from mining and industry are rising. Assessing water availability in this region and its relation with climatic variations is therefore crucial. The Dry Central Andes are characterised by a climatic setting different from that of the Alps and the subtropical Andes of Bolivia and Peru. Summers are very dry and stable, with precipitation close to zero and low relative humidity. Solar radiation is very intense, and plays a key role in the energy balance of snow covers and glaciers. The main aim of this study is to investigate the glacier-climate interaction in this area, with particular attention devoted to advanced modelling techniques for the spatial redistribution of meteorological variables, in order to gain an accurate picture of the ablation processes typical of these latitudes. During the ablation season 2005/2006, an extensive field campaign was conducted on the Juncal Norte glacier, aimed at monitoring the melt and runoff generation processes on this remote glacier in the dry Andes. Melt rates, runoff at the snout, meteorological variables over and near the glacier, GPS data and glacier topography were recorded over the entire ablation season. Using this extensive and accurate data set, the spatial and temporal variability of the meteorological variables that drive the melt process on the glacier is investigated, together with the process of runoff generation. An energy balance model is used to simulate melt across the glacier, and special attention is devoted to the modelling of the solar radiation energy flux. The components of the energy balance are compared with those of Alpine basins. The validity of parameterisations of the

  9. Analysis of ex-vessel melt jet breakup and coolability. Part 1: Sensitivity on model parameters and accident conditions

    Energy Technology Data Exchange (ETDEWEB)

    Moriyama, Kiyofumi; Park, Hyun Sun, E-mail: hejsunny@postech.ac.kr; Hwang, Byoungcheol; Jung, Woo Hyun

    2016-06-15

    Highlights: • Application of JASMINE code to melt jet breakup and coolability in APR1400 condition. • Coolability indexes for quasi steady state breakup and cooling process. • Typical case in complete breakup/solidification, film boiling quench not reached. • Significant impact of water depth and melt jet size; weak impact of model parameters. - Abstract: The breakup of a melt jet falling in a water pool and the coolability of the melt particles produced by such jet breakup are important phenomena in terms of the mitigation of severe accident consequences in light water reactors, because the molten and relocated core material is the primary heat source that governs the accident progression. We applied a modified version of the fuel–coolant interaction simulation code, JASMINE, developed at Japan Atomic Energy Agency (JAEA) to a plant scale simulation of melt jet breakup and cooling assuming an ex-vessel condition in the APR1400, a Korean advanced pressurized water reactor. Also, we examined the sensitivity on seven model parameters and five initial/boundary condition variables. The results showed that the melt cooling performance of a 6 m deep water pool in the reactor cavity is enough for removing the initial melt enthalpy for solidification, for a melt jet of 0.2 m initial diameter. The impacts of the model parameters were relatively weak and that of some of the initial/boundary condition variables, namely the water depth and melt jet diameter, were very strong. The present model indicated that a significant fraction of the melt jet is not broken up and forms a continuous melt pool on the containment floor in cases with a large melt jet diameter, 0.5 m, or a shallow water pool depth, ≤3 m.

  10. Modeling of melt-coolant mixing by bottom injection

    Energy Technology Data Exchange (ETDEWEB)

    Kazachkov, I.V.; Paladino, D.; Sehgal, B.R. [Royal Inst. of Tech., Div. of Nuclear Power Safety, Stockholm (Sweden)

    2001-07-01

    In this paper, the flow characteristics during the coolant injection, with submerged nozzles, at the bottom of a molten pool are studied. The flow pattern developed by the rising coolant is considered for the case of complete coolant vaporization, and the pool-coolant phase distributions are assessed by a modeling approach delivered from literature for a heterogeneous turbulent jet. To calculate the basic characteristics of such flow, integral relationships are proposed for the two-phase boundary layer. The results of numerical computations and approximate solution are compared with the experimental data obtained in the low temperature experiments, conducted in the DECOBI (debris coolability by bottom injection) facility. (authors)

  11. Room temperature magneto-structural transition in Al for Sn substituted Ni–Mn–Sn melt spun ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Maziarz, W. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland); Czaja, P., E-mail: p.czaja@imim.pl [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland); Szczerba, M.J. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland); Przewoźnik, J.; Kapusta, C. [AGH University of Science and Technology, Faculty of Physics and Applied Computer Science, Department of Solid State Physics, Al. Mickiewicza 30, 30-059 Krakow (Poland); Żywczak, A.; Stobiecki, T. [AGH University of Science and Technology, Department of Electronics, Al. Mickiewicza 30, 30-059 Kraków (Poland); Cesari, E. [Department de Fisica, Universitat de Illes Balears, Ctra. de Valldemossa, km 7.5, Palma de Mallorca E-07071 (Spain); Dutkiewicz, J. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 W. Reymonta Str., 30-059 Kraków (Poland)

    2013-12-15

    Martensitic and magnetic transformations in Ni{sub 48}Mn{sub 39.5}Sn{sub 12.5−x}Al{sub x} (x=0, 1, 2, 3) Heusler alloy ribbons were investigated. It is demonstrated that both magnetic and structural transformations occur in all of the studied samples. It is also shown that substitution of Sn with Al causes the martensitic transformation (MT) and the reverse martensitic transformation (RMT) temperatures to increase to room temperature (ΔT{sub MT}=49 K; ΔT{sub RMT}=43 K), whereas the Curie temperature of martensite T{sub C}{sup M} decreases (ΔT=36 K) and the Curie temperature of austenite T{sub C}{sup A} remains practically insensitive to Al introduction. This then allows to tune T{sub C}{sup A} and the MT temperature leading to their coincidence at ambient temperature. The austenite phase with the L2{sub 1} type structure has been identified to exist in all the samples regardless of composition. On the other hand the structure of martensite has been shown to be sensitive to composition. It has been determined as the 10 M martensite with (32{sup ¯}) stacking sequence in Al free samples and the 4O martensite with the stacking periodicity (31{sup ¯}) in Al containing samples. In addition, the splitting of the field cooling (FC) and the field heating (FH) thermo-magnetic curves at low (50 Oe) magnetic field and below the T{sub C}{sup M} has been attributed to intermartensitic transition. The application of large magnetic field (50 kOe) has shown the existence of two distinct ferromagnetic states with a considerable hysteresis loop. The properties of these materials make them promising for magnetocaloric applications. - Highlights: • Al for Sn substituted Ni–Mn–Sn based ferromagnetic Heusler alloys were produced by melt spinning. • Martensitic, reverse martensitic and intermartensitic transformations were observed, their temperatures and magnitude changed with Al substitution. • Different types of martensite structures were identified depending on Al

  12. Phase Transition in the Simplest Plasma Model

    CERN Document Server

    Iosilevskiy, Igor

    2009-01-01

    We have investigated the phase transition of the gas-liquid type, with an upper critical point, in a variant of the One Component Plasma model (OCP) that has a uniform but compressible compensating background. We have calculated the parameters of the critical and triple points, spinodals, and two-phase coexistence curves (binodals). We have analyzed the connection of this simplest plasma phase transition with anomalies in the spatial charge profiles of equilibrium non-uniform plasma in the local-density approximations of Thomas-Fermi or Poisson-Boltzmann-type.

  13. Distinguishing Ice from Snow for Melt Modeling Using Daily Observations from MODIS

    Science.gov (United States)

    Rittger, K.; Brodzik, M. J.; Racoviteanu, A.; Barrett, A. P.; Khalsa, S. J. S.; Painter, T. H.; Armstrong, R. L.; Burgess, A. B.

    2014-12-01

    In Earth's mountainous regions, melt from both seasonal snow and glacier ice contributes to streamflow. Few in-situ observations exist that can help distinguish between the two components of melt, particularly across large mountain ranges. In this study, we analyze daily time series of MODIS data products to distinguish ice from snow as the seasonal snowpack recedes revealing firn and glacier ice surfaces. We run a temperature index melt model for the Hunza, a sub-basin of the Upper Indus basin using the MODIS data to discriminate between glacier ice and snow and partition the corresponding streamflow. During the ablation period, this high elevation mid-latitude snowpack receives intense incoming solar radiation resulting in snow grain growth and surface albedo decreases. To explore snow grain growth, we use estimates of grain size from both the MODIS Snow Covered Area and Grain Size Model (MODSCAG) and MODIS Dust Radiative Forcing in Snow (MODDRFS). To explore albedo reduction we use 2 standard albedo products from MODIS, the Terra Daily Snow Cover algorithm (MOD10A1) and Surface Reflectance BRDF/Albedo (MOD43). We use a threshold on the grain size and albedo products to discriminate ice from snow. We test the ability of the 4 MODIS products to discriminate snow from glacier ice using higher resolution data from the Landsat 8 sensor from July 5th and July 21st, 2013 for a subset of the study area in the Karakoram region of the Himalaya that includes the Yazghil and Hopper Glaciers that drain north and northeast in the Shimshall Valley, part of the Hunza River basin. Snow and glacier ice are mapped using band ratio techniques, and are then separated on the basis of broadband albedo values calculated from Landsat bands for comparison with MODIS-derived snow and glacier ice pixels. We run a temperature index melt model that uses gap filled snow covered area from MODSCAG and interpolated station temperature data for the Hunza River basin. The model outputs daily melt

  14. Thermodynamic Modeling of Sulfide Capacity of Na2O-Containing Oxide Melts

    Science.gov (United States)

    Moosavi-Khoonsari, Elmira; Jung, In-Ho

    2016-10-01

    Thermodynamic modeling of the sulfide dissolution in the Na2O-FetO-CaO-MgO-MnO-Al2O3-SiO2 multicomponent slags was performed to investigate the desulfurization of hot metal using Na2O-containing fluxes. The dissolution behavior of sulfur in the melts was modeled using the modified quasi-chemical model in the quadruplet approximation. This model can take into account the short-range ordering and the reciprocal exchange reaction of cations and anions in oxy-sulfide slags. Experimental sulfide capacity data were well predicted from the model with only three model parameters.

  15. Model of temperature field for the preparation process of melt-spun NdFeB powders

    Institute of Scientific and Technical Information of China (English)

    赖彬; 李岩峰; 王会杰; 李安华; 朱明刚; 李卫; 张跃

    2014-01-01

    Melt-spun ribbons which are the important raw material for hot-deformed magnets can be prepared by single-roller melt-spinning. In order to prepare well-structured ribbons, the model of temperature field for single-roller melt-spinning process was constructed in this work. The heat conduction in this process was simplified as one dimensional heat conduction problem. It was shown by modeling that, the temperature field in the melt-spinning before solidification in this model could be described as this equa-tionT(x,t)=Tmoexp[-k(x-x0)-k2αt]+T0. The temperatureT(x,t) of the alloy melts decreased with increased positionx and cooling timet exponentially from the wheel-free surface to the wheel-side surface. The constantk determined the decrease speed of alloy tempera-tureT(x,t), which was proportional to the interfacial heat transfer coefficienth and the interfacial area of heat conductionA0, but in-versely proportional to the thermal conductivityK.x0 was the thickness of the alloy melt. With increasedx0, the temperature differ-ence between wheel-free surface and the wheel-side surface became larger, which would lead to larger difference in grain size. In ex-periments, the influence of melt-spinning process parameters on the temperature field model was discussed, such as cooling roller materials, wheel speed, and so on. Melt-spun ribbons prepared by single-roller melt spinning at different wheel speed were investi-gated and magnetic properties of die-upset magnets from melt-spun ribbons on different cooling roller were analyzed. The variation of grain size in the depth direction consisted with temperature field model. This model provided directions for the preparation of melt-spun ribbons with uniformly distributed fine grains, which were very necessary for producing hot-deformed magnets with high magnetic performance.

  16. Modelling Transition Towards Sustainable Transportation Sector

    DEFF Research Database (Denmark)

    Dominkovic, Dominik Franjo; Bačeković, I.; Mýrdal, Jón Steinar Garðarsson

    2016-01-01

    In a transition towards 100% renewable energy system, transportation sector is rarely dealt withusing the holistic approach and measuring its impact on the whole energy system. Furthermore, assolutions for power and heat sectors are clearer, it is a tendency of the researchers to focus on thelatter...... two energy sectors. In order to deal with the raised issue, authors of this paper developed amethodology for calculation of the transition towards sustainable transport sector, focusing on thesolutions that are already available. Furthermore, as a part of the model, a detailed mapping ofresources...... needed has been carried out for each of the alternatives. It was shown that theelectrification of the transportation sector is a crucial point in transition, while for the transportmodes that cannot be electrified, or shifted to different transportation modes, four alternatives weredefined: synthetic...

  17. Ross ice shelf cavity circulation, residence time, and melting: Results from a model of oceanic chlorofluorocarbons

    Science.gov (United States)

    Reddy, Tasha E.; Holland, David M.; Arrigo, Kevin R.

    2010-04-01

    Despite their harmful effects in the upper atmosphere, anthropogenic chlorofluorocarbons dissolved in seawater are extremely useful for studying ocean circulation and ventilation, particularly in remote locations. Because they behave as a passive tracer in seawater, and their atmospheric concentrations are well-mixed, well-known, and have changed over time, they are ideal for gaining insight into the oceanographic characteristics of the isolated cavities found under Antarctic ice shelves, where direct observations are difficult to obtain. Here we present results from a modeling study of air-sea chlorofluorocarbon exchange and ocean circulation in the Ross Sea, Antarctica. We compare our model estimates of oceanic CFC-12 concentrations along an ice shelf edge transect to field data collected during three cruises spanning 16 yr. Our model produces chlorofluorocarbon concentrations that are quite similar to those measured in the field, both in magnitude and distribution, showing high values near the surface, decreasing with depth, and increasing over time. After validating modeled circulation and air-sea gas exchange through comparison of modeled temperature, salinity, and chlorofluorocarbons with field data, we estimate that the residence time of water in the Ross Ice Shelf cavity is approximately 2.2 yr and that basal melt rates for the ice shelf average 10 cm yr -1. The model predicts a seasonal signature to basal melting, with highest melt rates in the spring and also the fall.

  18. Simulation of shock-induced melting of Ni using molecular dynamics coupled to a two-temperature model

    Science.gov (United States)

    Koči, L.; Bringa, E. M.; Ivanov, D. S.; Hawreliak, J.; McNaney, J.; Higginbotham, A.; Zhigilei, L. V.; Belonoshko, A. B.; Remington, B. A.; Ahuja, R.

    2006-07-01

    Using nonequilibrium molecular dynamics (MD) simulations we study shock-induced melting in Ni with an embedded atom method (EAM). Dynamic melting is probed by the pair correlation function, and we find a melting lattice temperature of Tmelt=6400±300K for a melting pressure of Pmelt=275±10GPa . When a combined MD+TTM (two-temperature model) approach is used to include electronic heat conduction and electron-phonon coupling, Pmelt and Tmelt change. For a given pressure, the temperature behind the shock decreases due to electronic heat diffusion into the cold, unshocked material. This cooling of the material behind the shock slightly increases the melting pressure compared to simulations without electronic heat conduction and electron-phonon coupling. The decrease in the temperature behind the shock front is enhanced if the electron-phonon coupling is artificially made larger. We also explore the feasibility of using x-ray diffraction to detect melting.

  19. Culture in Transition: A learning model

    DEFF Research Database (Denmark)

    Baca, Susan

    2010-01-01

    of spare capacity, desire, focus, and information. By integrating the element of culture, both in the organizational sense and that pertaining to diversity, otherwise overseen aspects of transition are brought into view, with the potential of reducing stress and increasing job satisfaction. The model......This paper addresses the problem of resistance to attempted changes in organizational culture, particularly those involving diversity, by 1) identifying precisely what is meant by organizational as opposed to societal culture, 2) developing a theoretical model of learning useful in contexts...... of organizational transition, and 3) demonstrating the efficacy of the model by using it to explain empirical research findings. It is argued that learning new cultural currency involves the use of active intelligence to locate and answer relevant questions, and further that this process requires the interplay...

  20. Effect Of Turbulence Modelling In Numerical Analysis Of Melting Process In An Induction Furnace

    Directory of Open Access Journals (Sweden)

    Buliński P.

    2015-09-01

    Full Text Available In this paper, the velocity field and turbulence effects that occur inside a crucible of a typical induction furnace were investigated. In the first part of this work, a free surface shape of the liquid metal was measured in a ceramic crucible. Then a numerical model of aluminium melting process was developed. It took into account coupling of electromagnetic and thermofluid fields that was performed using commercial codes. In the next step, the sensitivity analysis of turbulence modelling in the liquid domain was performed. The obtained numerical results were compared with the measurement data. The performed analysis can be treated as a preliminary approach for more complex mathematical modelling for the melting process optimisation in crucible induction furnaces of different types.

  1. Advanced Modeling of Cold Crucible Induction Melting for Process Control and Optimization

    Energy Technology Data Exchange (ETDEWEB)

    J. A. Roach; D. B. Lopukh; A. P. Martynov; B. S. Polevodov; S. I. Chepluk

    2008-02-01

    The Idaho National Laboratory (INL) and the St. Petersburg Electrotechnical University “LETI” (ETU) have collaborated on development and validation of an advanced numerical model of the cold crucible induction melting (CCIM) process. This work was conducted in support of the Department of Energy (DOE) Office of Environmental Management Technology and Engineering (EM-20) International Program. The model predicts quasi-steady state temperature distributions, convection cell configurations, and flow field velocities for a fully established melt of low conductivity non-magnetic materials at high frequency operations. The INL/ETU ANSYS© finite element model is unique in that it has been developed specifically for processing borosilicate glass (BSG) and other glass melts. Specifically, it accounts for the temperature dependency of key material properties, some of which change by orders of magnitude within the temperature ranges experienced (temperature differences of 500oC are common) in CCIM processing of glass, including density, viscosity, thermal conductivity, specific heat, and electrical resistivity. These values, and their responses to temperature changes, are keys to understanding the melt characteristics. Because the model has been validated, it provides the capability to conduct parametric studies to understand operational sensitivities and geometry effects. Additionally, the model can be used to indirectly determine difficult to measure material properties at higher temperatures such as resistivity, thermal conductivity and emissivity. The model can also be used to optimize system design and to predict operational behavior for specific materials and system configurations, allowing automated feedback control. This becomes particularly important when designing melter systems for full-scale industrial applications.

  2. Glass transitions in the cellular Potts model

    Science.gov (United States)

    Chiang, M.; Marenduzzo, D.

    2016-10-01

    We study the dynamical transition between a fluid-like and a solid-like phase in a confluent cell monolayer, by using the cellular Potts model and computer simulations. We map out the phase diagram as a function of interfacial tension and of cell motility. While in the fluid phase there is normal diffusion, in the solid phase we observe sub-diffusion, very slow relaxation, and ageing, thereby strongly suggesting that this phase is glassy. Our results complement previous theoretical work within the vertex model and show that the cellular Potts model can account for the experimentally observed glassy dynamics of some biological tissues.

  3. Micro-scale prediction method for API-solubility in polymeric matrices and process model for forming amorphous solid dispersion by hot-melt extrusion.

    Science.gov (United States)

    Bochmann, Esther S; Neumann, Dirk; Gryczke, Andreas; Wagner, Karl G

    2016-10-01

    A new predictive micro-scale solubility and process model for amorphous solid dispersions (ASDs) by hot-melt extrusion (HME) is presented. It is based on DSC measurements consisting of an annealing step and a subsequent analysis of the glass transition temperature (Tg). The application of a complex mathematical model (BCKV-equation) to describe the dependency of Tg on the active pharmaceutical ingredient (API)/polymer ratio, enables the prediction of API solubility at ambient conditions (25°C). Furthermore, estimation of the minimal processing temperature for forming ASDs during HME trials could be defined and was additionally confirmed by X-ray powder diffraction data. The suitability of the DSC method was confirmed with melt rheological trials (small amplitude oscillatory system). As an example, ball milled physical mixtures of dipyridamole, indomethacin, itraconazole and nifedipine in poly(vinylpyrrolidone-co-vinylacetate) (copovidone) and polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft copolymer (Soluplus®) were used.

  4. Excitability, mixed-mode oscillations and transition to chaos in a stochastic ice ages model

    Science.gov (United States)

    Alexandrov, D. V.; Bashkirtseva, I. A.; Ryashko, L. B.

    2017-03-01

    Motivated by an important geophysical significance, we consider the influence of stochastic forcing on a simple three-dimensional climate model previously derived by Saltzman and Sutera. A nonlinear dynamical system governing three physical variables, the bulk ocean temperature, continental and marine ice masses, is analyzed in deterministic and stochastic cases. It is shown that the attractor of deterministic model is either a stable equilibrium or a limit cycle. We demonstrate that the process of continental ice melting occurs with a noise-dependent time delay as compared with marine ice melting. The paleoclimate cyclicity which is near 100 ky in a wide range of model parameters abruptly increases in the vicinity of a bifurcation point and depends on the noise intensity. In a zone of stable equilibria, the 3D climate model under consideration is extremely excitable. Even for a weak random noise, the stochastic trajectories demonstrate a transition from small- to large-amplitude stochastic oscillations (SLASO). In a zone of stable cycles, SLASO transitions are analyzed too. We show that such stochastic transitions play an important role in the formation of a mixed-mode paleoclimate scenario. This mixed-mode dynamics with the intermittency of large- and small-amplitude stochastic oscillations and coherence resonance are investigated via analysis of interspike intervals. A tendency of dynamic paleoclimate to abrupt and rapid glaciations and deglaciations as well as its transition from order to chaos with increasing noise are shown.

  5. Mathematical modeling of localized melting around graphite nodules during laser surface hardening of austempered ductile iron

    Science.gov (United States)

    Roy, A.; Manna, I.

    2000-10-01

    An attempt has been made to mathematically predict the optimum conditions of laser surface hardening (LSH) of austempered ductile iron (ADI) that can ensure a predominantly martensitic microstructure and preclude partial/complete dissolution of graphite nodules in the laser hardened zone during laser irradiation. The exercise involves prediction of the thermal profile (using the Ashby and Easterling model), and consequently, the carbon diffusion profile around the graphite nodules at different depths from the surface for the given conditions of LSH. Microstructural investigations have been carried out by optical and scanning electron microscopy to study the morphology, shape and width of the partially/completely melted graphite nodules as a function of the LSH parameters. Finally, the predicted maximum width of the melted zone around the graphite nodules is compared with the relevant experimental data to validate the proposed model.

  6. Numerical modelling of melting and settling of an encapsulated PCM using variable viscosity

    Science.gov (United States)

    Kasibhatla, Raghavendra Rohith; König-Haagen, Andreas; Rösler, Fabian; Brüggemann, Dieter

    2016-10-01

    Thermal energy storage units using macro-encapsulated PCM in industrial and residential applications are contemporary due to better efficiency during charging and discharging. This article focuses on numerical modelling of the melting process in a macro-encapsulated PCM. Accounting the non-linear enthalpy-temperature relation and ramping down the velocity in solid phase is therefore fundamental. In the present article the variable viscosity method is implemented to ramp down the solid velocity and allow settling of the solid phase. This complete numerical model of melting and settling of PCM in a capsule is implemented in OpenFOAM. The numerical results for different solid viscosities are validated with experiments and show good agreement. The influence of the solid viscosity value and the pressure-velocity convergence is studied. It is observed that the pressure-velocity convergence only plays a greater role in the case where the computation of the exact solid velocity is required.

  7. Flavor dependence of baryon melting temperature in effective models of QCD

    Science.gov (United States)

    Torres-Rincon, Juan M.; Sintes, Benjamin; Aichelin, Joerg

    2015-06-01

    We apply the three-flavor (Polyakov-)Nambu-Jona-Lasinio model to generate baryons as quark-diquark bound states using many-body techniques at finite temperature. All the baryonic states belonging to the octet and decuplet flavor representations are generated in the isospin-symmetric case. For each state we extract the melting temperature at which the baryon may decay into a quark-diquark pair. We seek for an evidence of the strangeness dependence of the baryon melting temperature as suggested by the statistical thermal models and supported by lattice quantum chromodynamics results. A clear and robust signal for this claim is found, pointing to a flavor dependence of the hadronic deconfinement temperature.

  8. Random Walk Smooth Transition Autoregressive Models

    OpenAIRE

    2004-01-01

    This paper extends the family of smooth transition autoregressive (STAR) models by proposing a specification in which the autoregressive parameters follow random walks. The random walks in the parameters can capture structural change within a regime switching framework, but in contrast to the time varying STAR (TV-STAR) speciifcation recently introduced by Lundbergh et al (2003), structural change in our random walk STAR (RW-STAR) setting follows a stochastic process rather than a determinist...

  9. Theory and numerical modeling of electrical self-potential signatures of unsaturated flow in melting snow

    Science.gov (United States)

    Kulessa, B.; Chandler, D.; Revil, A.; Essery, R.

    2012-09-01

    We have developed a new theory and numerical model of electrical self-potential (SP) signals associated with unsaturated flow in melting snow. The model is applicable to continuous natural melt as well as transient flow phenomena such as meltwater pulses and is tested using laboratory column experiments. SP signals fundamentally depend on the temporal evolution of snow porosity and meltwater flux, electrical conductivity (EC), and pH. We infer a reversal of the sign of the zeta potential (a fundamental electrical property of grain surfaces in porous media) consistent with well-known elution sequences of ions that cause progressive increases and decreases in meltwater pH and EC, respectively. Injection of fully melted snow samples, containing the entire natural range of ions, into melting snow columns caused additional temporary reversals of the sign of the zeta potential. Widely used empirical relationships between effective saturation, meltwater fraction, EC, and pH, as well as snow porosity, grain size, and permeability, are found to be robust for modeling purposes. Thus nonintrusive SP measurements can serve as proxies for snow meltwater fluxes and the temporal evolution of fundamental snow textural, hydraulic, or water quality parameters. Adaptation of automated multisensor SP acquisition technology from other environmental applications thus promises to bridge the widely acknowledged gap in spatial scales between satellite remote sensing and point measurements of snow properties. SP measurements and modeling may therefore contribute to solving a wide range of problems related to the assessment of water resource availability, avalanche or flood risk, or the amplification of climatic forcing of ice shelf, ice sheet, or glacier dynamics.

  10. Numerical Modeling of Melting Process of Thin Metal Films Subjected to the Short Laser Pulse

    Directory of Open Access Journals (Sweden)

    E. Majchrzak

    2012-12-01

    Full Text Available Thin metal film subjected to a short-pulse laser heating is considered. The parabolic two-temperature model describing the temporal and spatial evolution of the lattice and electrons temperatures is discussed and the melting process of thin layer is taken into account. At the stage of numerical computations the finite difference method is used. In the final part of the paper the examples of computations are shown.

  11. The oceanic response to Greenland melting: the effect of increasing model resolution

    OpenAIRE

    Behrens, Erik

    2013-01-01

    This study investigates the oceanic response to an enhanced melting of the Greenland Ice Sheet. A series of forced ocean simulations with different horizontal resolutions from 0.5° to 0.05° is used. The main focus is to investigate the oceanic behaviour to a freshwater input within models of different horizontal resolutions and differing in the representation of mesoscale processes. In particular, the role of the mesoscale eddies on the spreading of freshwater in the subpolar North Atlantic i...

  12. Modelling the impact of submarine frontal melting and ice mélange on glacier dynamics

    OpenAIRE

    Krug, J.; G. Durand; Gagliardini, O.; J. Weiss

    2015-01-01

    Two mechanisms are generally proposed to explain seasonal variations in the calving front of tidewater glaciers: submarine melting of the calving face and the mechanical back-force applied by the ice mélange. However, the way these processes affect the calving rate and the glacier dynamics remains uncertain. In this study, we used the finite element model Elmer/Ice to simulate the impact of these forcings on more than 200 two dimensional theoretical flowline glacier configur...

  13. Modeling of air-droplet interaction, substrate melting and coating buildup in thermal spraying

    Science.gov (United States)

    Wei, Guanghua

    Among the many surface coating techniques now available, thermal spray is known to offer the most advantages. It can meet a wide range of technical and engineering requirements in a relatively inexpensive and easily controllable way with the capability of producing repeatable results. In the last few decades a lot of important strides have been made in the field of measurements and modelling of thermal spraying. However, due to the complex of the process and the lack of basic materials-based knowledge about the particle melting, spreading and deposition, the relationship between the process parameters and the coating properties still remains unclear. In thermal spraying, a particle is melted to form a droplet with morphology and thermal- and kinetic-energy status change by the interaction with the plasma/flame. In order to produce higher-quality coatings and expand the use of this versatile family of technologies, modelling of the particle behaviors during in-flight, spreading and deposition is essential. This thesis investigates the connections between particle characteristics and coating properties. Momentum, heat and mass transfer phenomena related to particle in-flight, droplet impacting, spreading, and splat layering are studied. Numerical models are developed to establish the quantitative relationships between spray parameters, particle and substrate properties and deposition characteristics. Most existing theoretical studies of in-flight particle assume that the particle is in a spherical shape without voids inside. The behavior of porous particles in thermal spray has not been well understood. However, the presence of voids in the feedstock powders may have a great impact on particle in-flight behaviors such as particle acceleration, melting and oxidation because a hollowed particle is also lighter than a densed one and this will affect the particle trajectory. The particle shape also needs to be taken into account because it influences the drag force and

  14. VOLATILECALC: A silicate melt-H2O-CO2 solution model written in Visual Basic for excel

    Science.gov (United States)

    Newman, S.; Lowenstern, J. B.

    2002-01-01

    We present solution models for the rhyolite-H2O-CO2 and basalt-H2O-CO2 systems at magmatic temperatures and pressures below ~ 5000 bar. The models are coded as macros written in Visual Basic for Applications, for use within MicrosoftR Excel (Office'98 and 2000). The series of macros, entitled VOLATILECALC, can calculate the following: (1) Saturation pressures for silicate melt of known dissolved H2O and CO2 concentrations and the corresponding equilibrium vapor composition; (2) open- and closed-system degassing paths (melt and vapor composition) for depressurizing rhyolitic and basaltic melts; (3) isobaric solubility curves for rhyolitic and basaltic melts; (4) isoplethic solubility curves (constant vapor composition) for rhyolitic and basaltic melts; (5) polybaric solubility curves for the two end members and (6) end member fugacities of H2O and CO2 vapors at magmatic temperatures. The basalt-H2O-CO2 macros in VOLATILECALC are capable of calculating melt-vapor solubility over a range of silicate-melt compositions by using the relationships provided by Dixon (American Mineralogist 82 (1997) 368). The output agrees well with the published solution models and experimental data for silicate melt-vapor systems for pressures below 5000 bar. ?? 2002 Elsevier Science Ltd. All rights reserved.

  15. In situ observation of multiple phase transitions in low-melting ionic liquid [BMIM][BF4] under high pressure up to 30 GPa.

    Science.gov (United States)

    Su, Lei; Zhu, Xiang; Wang, Zheng; Cheng, Xuerui; Wang, Yongqiang; Yuan, Chaosheng; Chen, Zhenping; Ma, Chunli; Li, Fangfei; Zhou, Qiang; Cui, Qiliang

    2012-02-23

    In situ characterization of phase transitions and direct microscopic observations of a low-melting ionic liquid, 1-butyl-3-methyl imidazolium tetrafluoroborate ([BMIM][BF(4)]), has been performed in detail by Raman spectroscopy. Compression of [BMIM][BF(4)] was measured under hydrostatic pressure up to ~30.0 GPa at room temperature by using a high-pressure diamond anvil cell. With pressure increasing, the characteristic bands of [BMIM][BF(4)] displayed nonmonotonic pressure-induced frequency shifts, and it is found to undergo four successive phase transitions at around 2.25, 6.10, 14.00, and 21.26 GPa. Especially, above a pressure of 21.26 GPa, luminescence of the sample occurs, which is connected with the most significant phase transition at around this pressure. It was indicated that the structure change under high pressure might be associated with a conformational change in the butyl chain. Upon releasing pressure, the spectrum was not recovered under a pressure up to 1.16 GPa, thereby indicating that this high-pressure phase remains stable over a large pressure range between 30 and 1.16 GPa in low-melting ionic liquid [BMIM][BF(4)]. Although the sample was kept under the normal pressure for 24 h, the spectrum was recovered, and it showed that the phase transition of [BMIM][BF(4)] was reversible. In other words, such a low-melting ionic liquid [BMIM][BF(4)] remains stable even after being treated under so a high pressure of up to 30 GPa. © 2012 American Chemical Society

  16. A characterization of Greenland Ice Sheet surface melt and runoff in contemporary reanalyses and a regional climate model

    Directory of Open Access Journals (Sweden)

    Richard eCullather

    2016-02-01

    Full Text Available For the Greenland Ice Sheet (GrIS, large-scale melt area has increased in recent years and is detectable via remote sensing, but its relation to runoff is not known. Historical, modeled melt area and runoff from Modern-Era Retrospective Analysis for Research and Applications (MERRA-Replay, the Interim Re-Analysis of the European Centre for Medium Range Weather Forecasts (ERA-I, the Climate Forecast System Reanalysis (CFSR, the Modèle Atmosphérique Régional (MAR, and the Arctic System Reanalysis (ASR are examined. These sources compare favorably with satellite-derived estimates of surface melt area for the period 2000-2012. Spatially, the models markedly disagree on the number of melt days in the interior of the southern part of the ice sheet, and on the extent of persistent melt areas in the northeastern GrIS. Temporally, the models agree on the mean seasonality of daily surface melt and on the timing of large-scale melt events in 2012. In contrast, the models disagree on the amount, seasonality, spatial distribution, and temporal variability of runoff. As compared to global reanalyses, time series from MAR indicate a lower correlation between runoff and melt area (r2 = 0.805. Runoff in MAR is much larger in the second half of the melt season for all drainage basins, while the ASR indicates larger runoff in the first half of the year. This difference in seasonality for the MAR and to an extent for the ASR provide a hysteresis in the relation between runoff and melt area, which is not found in the other models. The comparison points to a need for reliable observations of surface runoff.

  17. Observations and modeling of ocean-induced melt beneath Petermann Glacier Ice Shelf in northwestern Greenland

    Science.gov (United States)

    Cai, Cilan; Rignot, Eric; Menemenlis, Dimitris; Nakayama, Yoshihiro

    2017-08-01

    We update observationally based estimates of subaqueous melt, Qm, beneath Petermann Glacier Ice Shelf (PGIS), Greenland, and model its sensitivity to oceanic thermal forcing, TF, and subglacial runoff, Qsg, using the Massachusetts Institute of Technology general circulation model (MITgcm), in a two-dimensional domain, with 20 m vertical and 40 m horizontal resolution at the grounding line. We adjust the drag coefficient to match the observationally based Qm. With the inclusion of Qsg, the maximum melt rate (Qmmax) is 2 times larger in summer and 1/3 larger annually than in winter. Qmmax increases above linear with TF and below linear with Qsg. We estimate that Qmmax increased by 24% (+8.1 m/yr) beneath PGIS from the 1990s to the 2000s from a 0.21°C warming in ocean temperature and a doubling in Qsg, hence contributing to its thinning. If the PGIS is removed, we estimate that the modeled melt rate near the grounding line will increase 13-16 times.

  18. Simulation Model of Bus Rapid Transit

    Directory of Open Access Journals (Sweden)

    Gunawan Fergyanto E.

    2014-03-01

    Full Text Available Bus rapid transit system is modern solution for mass transportation system. The system, in comparison to the rail-based transportation system, is significantly cheaper and requires shorter development time, but lower performance. The BRT system performance strongly depends on variables related to station design and infrastructure. A numerical model offers an effective and efficient means to evaluate the system performance. This article offers a detailed numerical model on the basis of the discrete-event approach and demonstrates its application.

  19. Crossover transition in bag-like models

    Energy Technology Data Exchange (ETDEWEB)

    Ferroni, Lorenzo; Koch, Volker

    2009-03-13

    We formulate a simple model for a gas of extended hadrons at zero chemical potential by taking inspiration from the compressible bag model. We show that a crossover transition qualitatively similar to lattice QCD can be reproduced by such a system by including some appropriate additional dynamics. Under certain conditions, at high temperature, the system consist of a finite number of infinitely extended bags,which occupy the entire space. In this situation the system behaves as an ideal gas of quarks and gluons.

  20. Modelling the size effect on the melting temperature of nanoparticles, nanowires and nanofilms

    Energy Technology Data Exchange (ETDEWEB)

    Safaei, A [Department of Materials Science and Engineering, Tarbiat Modares University, PO Box 14115-143, Tehran (Iran, Islamic Republic of); Shandiz, M Attarian [Department of Materials Science and Engineering, Tarbiat Modares University, PO Box 14115-143, Tehran (Iran, Islamic Republic of); Sanjabi, S [Department of Materials Science and Engineering, Tarbiat Modares University, PO Box 14115-143, Tehran (Iran, Islamic Republic of); Barber, Z H [Department of Materials Science and Metallurgy, Cambridge University, Pembroke Street, Cambridge CB2 3QZ (United Kingdom)

    2007-05-30

    A model has been developed to account for the dependence of melting temperature on the size of nanosolids (nanoparticles, nanowires and nanofilms). In this model the effect of particle size and shape, lattice and surface packing factor, and the coordination number of the lattice and of the surface crystalline planes are considered. A general equation is proposed, having nonlinear form as a function of the reciprocal of nanosolid size. This model is consistent with reported experimental data for nanoparticles of In and Au, nanowires of Pb and In, and nanofilms of In.

  1. Central Nervous System Based Computing Models for Shelf Life Prediction of Soft Mouth Melting Milk Cakes

    Directory of Open Access Journals (Sweden)

    Gyanendra Kumar Goyal

    2012-04-01

    Full Text Available This paper presents the latency and potential of central nervous system based system intelligent computer engineering system for detecting shelf life of soft mouth melting milk cakes stored at 10o C. Soft mouth melting milk cakes are exquisite sweetmeat cuisine made out of heat and acid thickened solidified sweetened milk. In today’s highly competitive market consumers look for good quality food products. Shelf life is a good and accurate indicator to the food quality and safety. To achieve good quality of food products, detection of shelf life is important. Central nervous system based intelligent computing model was developed which detected 19.82 days shelf life, as against 21 days experimental shelf life.

  2. Shock melting of the canyon diablo impactor: constraints from nickel-59 contents and numerical modeling

    Science.gov (United States)

    Schnabel; Pierazzo; Xue; Herzog; Masarik; Cresswell; di Tada ML; Liu; Fifield

    1999-07-02

    Two main types of material survive from the Canyon Diablo impactor, which produced Meteor Crater in Arizona: iron meteorites, which did not melt during the impact; and spheroids, which did. Ultrasensitive measurements using accelerator mass spectrometry show that the meteorites contain about seven times as much nickel-59 as the spheroids. Lower average nickel-59 contents in the spheroids indicate that they typically came from 0.5 to 1 meter deeper in the impactor than did the meteorites. Numerical modeling for an impact velocity of 20 kilometers per second shows that a shell 1.5 to 2 meters thick, corresponding to 16 percent of the projectile volume, remained solid on the rear surface; that most of the projectile melted; and that little, if any, vaporized.

  3. Mott transitions in the periodic Anderson model

    Science.gov (United States)

    Logan, David E.; Galpin, Martin R.; Mannouch, Jonathan

    2016-11-01

    The periodic Anderson model (PAM) is studied within the framework of dynamical mean-field theory, with particular emphasis on the interaction-driven Mott transition it contains, and on resultant Mott insulators of both Mott-Hubbard and charge-transfer type. The form of the PAM phase diagram is first deduced on general grounds using two exact results, over the full range of model parameters and including metallic, Mott, Kondo and band insulator phases. The effective low-energy model which describes the PAM in the vicinity of a Mott transition is then shown to be a one-band Hubbard model, with effective hoppings that are not in general solely nearest neighbour, but decay exponentially with distance. This mapping is shown to have a range of implications for the physics of the problem, from phase boundaries to single-particle dynamics; all of which are confirmed and supplemented by NRG calculations. Finally we consider the locally degenerate, non-Fermi liquid Mott insulator, to describe which requires a two-self-energy description. This is shown to yield a number of exact results for the associated local moment, charge, and interaction-renormalised levels, together with a generalisation of Luttinger’s theorem to the Mott insulator.

  4. Modeling the solid-liquid phase transition in saturated triglycerides

    Science.gov (United States)

    Pink, David A.; Hanna, Charles B.; Sandt, Christophe; MacDonald, Adam J.; MacEachern, Ronald; Corkery, Robert; Rousseau, Dérick

    2010-02-01

    We investigated theoretically two competing published scenarios for the melting transition of the triglyceride trilaurin (TL): those of (1) Corkery et al. [Langmuir 23, 7241 (2007)], in which the average state of each TL molecule in the liquid phase is a discotic "Y" conformer whose three chains are dynamically twisted, with an average angle of ˜120° between them, and those of (2) Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid-state conformation of the TL molecule in the liquid phase is a nematic h∗-conformer whose three chains are in a modified "chair" conformation. We developed two competing models for the two scenarios, in which TL molecules are in a nematic compact-chair (or "h") conformation, with extended, possibly all-trans, chains at low-temperatures, and in either a Y conformation or an h∗ conformation in the liquid state at temperatures higher than the phase-transition temperature, T∗=319 K. We defined an h-Y model as a realization of the proposal of Corkery et al. [Langmuir 23, 7241 (2007)], and explored its predictions by mapping it onto an Ising model in a temperature-dependent field, performing a mean-field approximation, and calculating the transition enthalpy ΔH. We found that the most plausible realization of the h-Y model, as applied to the solid-liquid phase transition in TL, and likely to all saturated triglycerides, gave a value of ΔH in reasonable agreement with the experiment. We then defined an alternative h-h∗ model as a realization of the proposal of Cebula et al. [J. Am. Oil Chem. Soc. 69, 130 (1992)], in which the liquid phase exhibits an average symmetry breaking similar to an h conformation, but with twisted chains, to see whether it could describe the TL phase transition. The h-h∗ model gave a value of ΔH that was too small by a factor of ˜3-4. We also predicted the temperature dependence of the 1132 cm-1 Raman band for both models, and performed measurements of the ratios of three TL Raman

  5. Investigation of a mineral melting cupola furnace. Part II. Mathematical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Leth-Miller, R.; Jensen, A.D.; Glarborg, P.; Jensen, L.M.; Hansen, P.B.; Jorgensen, S.B. [Rockwool International AS, Hedehusene (Denmark)

    2003-12-24

    A mathematical model of a mineral melting cupola furnace for stone wool production has been developed for improving cupola operation. The 1-D, first-engineering-principles model includes mass and heat balances for the gas phase, five solid phases, and four liquid phases. The gas and solid/liquid phases flow countercurrently. Seven chemical reactions account for the conversions of coke, iron oxide, limestone, and gaseous species. The heterogeneous reactions of coke conversion are limited by both kinetics and mass transport. Heat transfer between phases is modeled including both convection and radiation. The model predicts gas concentrations; mass flow rates; and temperature profiles of the solid, melt, and gas in the cupola, as well as heat loss to the water-cooled walls. Inputs to the model include the coke, rock, and blast air properties, the blast air amount, and the coke percentage in the charge. The unknown model parameters are estimated on the basis of input/output measurements. A comparison of the predicted and measured concentration and temperature profiles inside the cupola shows good agreement.

  6. Extended T-index models for glacier surface melting: a case study from Chorabari Glacier, Central Himalaya, India

    Science.gov (United States)

    Karakoti, Indira; Kesarwani, Kapil; Mehta, Manish; Dobhal, D. P.

    2016-10-01

    Two enhanced temperature-index (T-index) models are proposed by incorporating meteorological parameters viz. relative humidity, wind speed and net radiation. The models are an attempt to explore different climatic variables other than temperature affecting glacier surface melting. Weather data were recorded at Chorabari Glacier using an automatic weather station during the summers of 2010 (July 10 to September 10) and 2012 (June 10 to October 25). The modelled surface melt is validated against the measured point surface melting at the snout. Performance of the developed models is evaluated by comparing with basic temperature-index model and is quantified through different efficiency criteria. The results suggest that proposed models yield considerable improvement in surface melt simulation . Consequently, the study reveals that glacier surface melt depends not only on temperature but also on weather parameters viz. relative humidity, wind speed and net radiation play a significant role in glacier surface melting. This approach provides a major improvement on basic temperature-index method and offers an alternative to energy balance model.

  7. Mechanical Behavior and Analytical Modeling of Melt-Infiltrated SiC/SiC Woven Composite

    Science.gov (United States)

    Lang, J.; Sankar, J.; Kelkar, A. D.; Bhatt, R. T.; Baaklini, G.; Lua, J.

    1998-01-01

    The desirable properties in ceramic matrix composites (CMCs), such as high temperature strength, corrosion resistance, high toughness, low density, or good creep resistance have led to increased use of CMCs in high-speed engine structural components and structures that operate in extreme temperature and hostile aero-thermo-chemical environments. Ceramic matrix composites have been chosen for turbine material in the design of 21st century civil propulsion systems to achieve high fuel economy, improved reliability, extended life, and reduced cost. Most commercial CMCs are manufactured using a chemical vapor infiltration (CVI) process. However, a lower cost fabrication known as melt-infiltration process is also providing CMCs marked for use in hot sections of high-speed civil transports. Limited samples of a SiC/SiC melt-infiltrated woven composites are being investigated at room and elevated temperature below and above matrix cracking. These samples show graceful failure and toughness at room temperature with a reduction in strength and modulus at elevated temperatures. A generic finite element model is also being developed to predict monotonic and cyclic loading behavior of the woven composite. Use of the initial test data from the woven composite is being used for the development of the analytical model. This model is the first of a iterative process leading towards the development the model's capability to predict behavior at room and elevated temperature for monotonic and cyclic loading. The purpose of this paper is to report on the material and mechanical findings of the SiC/SiC melt-infiltrated woven composite and progress on the development of the finite element model.

  8. Properties of analytic transit light curve models

    CERN Document Server

    Pál, András

    2008-01-01

    In this paper a set of analytic formulae are presented with which the partial derivatives of the flux obscuration function can be evaluated -- for planetary transits and eclipsing binaries -- under the assumption of quadratic limb darkening. The knowledge of these partial derivatives are crucial for many of the data modeling algorithms and estimates of the light curve variations directly from the changes in the orbital elements. These derivatives can also be utilized to speed up some of the fitting methods. A gain of 10 in computing time can be achieved in the implementation of the Levenberg-Marquardt algorithm, relative to using numerical derivatives.

  9. Modeling the polycentric transition of cities

    CERN Document Server

    Louf, Rémi

    2013-01-01

    Empirical evidence suggest that most urban systems experience a transition from a monocentric to a polycentric organisation as they grow and expand. We propose here a stochastic, out-of-equilibrium model of the city which explains the appearance of subcenters as an effect of traffic congestion. We show that congestion triggers the unstability of the monocentric regime, and that the number of subcenters and the total commuting distance within a city scale sublinearly with its population, predictions which are in agreement with data gathered for around 9000 US cities between 1994 and 2010.

  10. Processes controlling surface, bottom and lateral melt of Arctic sea ice in a state of the art sea ice model.

    Science.gov (United States)

    Tsamados, Michel; Feltham, Daniel; Petty, Alek; Schroeder, David; Flocco, Daniela

    2015-10-13

    We present a modelling study of processes controlling the summer melt of the Arctic sea ice cover. We perform a sensitivity study and focus our interest on the thermodynamics at the ice-atmosphere and ice-ocean interfaces. We use the Los Alamos community sea ice model CICE, and additionally implement and test three new parametrization schemes: (i) a prognostic mixed layer; (ii) a three equation boundary condition for the salt and heat flux at the ice-ocean interface; and (iii) a new lateral melt parametrization. Recent additions to the CICE model are also tested, including explicit melt ponds, a form drag parametrization and a halodynamic brine drainage scheme. The various sea ice parametrizations tested in this sensitivity study introduce a wide spread in the simulated sea ice characteristics. For each simulation, the total melt is decomposed into its surface, bottom and lateral melt components to assess the processes driving melt and how this varies regionally and temporally. Because this study quantifies the relative importance of several processes in driving the summer melt of sea ice, this work can serve as a guide for future research priorities. © 2015 The Author(s).

  11. Property-Composition-Temperature Modeling of Waste Glass Melt Data Subject to a Randomization Restriction

    Energy Technology Data Exchange (ETDEWEB)

    Piepel, Gregory F.; Heredia-Langner, Alejandro; Cooley, Scott K.

    2008-10-01

    Properties such as viscosity and electrical conductivity of glass melts are functions of melt temperature as well as glass composition. When measuring such a property for several glasses, the property is typically measured at several temperatures for one glass, then at several temperatures for the next glass, and so on. This data-collection process involves a restriction on randomization, which is referred to as split-plot experiment. The split-plot data structure must be accounted for in developing property-composition-temperature models and the corresponding uncertainty equations for model predictions. Instead of ordinary least squares (OLS) regression methods, generalized least squares (GLS) regression methods using restricted maximum likelihood (REML) estimation must be used. This article describes the methodology for developing property-composition-temperature models and corresponding prediction uncertainty equations using the GLS/REML regression approach. Viscosity data collected on 197 simulated nuclear waste glasses are used to illustrate the GLS/REML methods for developing a viscosity-composition-temperature model and corresponding equations for model prediction uncertainties. The correct results using GLS/REML regression are compared to the incorrect results obtained using OLS regression.

  12. A snow and ice melt seasonal prediction modelling system for Alpine reservoirs

    Science.gov (United States)

    Förster, Kristian; Oesterle, Felix; Hanzer, Florian; Schöber, Johannes; Huttenlau, Matthias; Strasser, Ulrich

    2016-10-01

    The timing and the volume of snow and ice melt in Alpine catchments are crucial for management operations of reservoirs and hydropower generation. Moreover, a sustainable reservoir operation through reservoir storage and flow control as part of flood risk management is important for downstream communities. Forecast systems typically provide predictions for a few days in advance. Reservoir operators would benefit if lead times could be extended in order to optimise the reservoir management. Current seasonal prediction products such as the NCEP (National Centers for Environmental Prediction) Climate Forecast System version 2 (CFSv2) enable seasonal forecasts up to nine months in advance, with of course decreasing accuracy as lead-time increases. We present a coupled seasonal prediction modelling system that runs at monthly time steps for a small catchment in the Austrian Alps (Gepatschalm). Meteorological forecasts are obtained from the CFSv2 model. Subsequently, these data are downscaled to the Alpine Water balance And Runoff Estimation model AWARE running at monthly time step. Initial conditions are obtained using the physically based, hydro-climatological snow model AMUNDSEN that predicts hourly fields of snow water equivalent and snowmelt at a regular grid with 50 m spacing. Reservoir inflow is calculated taking into account various runs of the CFSv2 model. These simulations are compared with observed inflow volumes for the melting and accumulation period 2015.

  13. Role of the heat capacity change in understanding and modeling melting thermodynamics of complementary duplexes containing standard and nucleobase-modified LNA.

    Science.gov (United States)

    Hughesman, Curtis B; Turner, Robin F B; Haynes, Charles A

    2011-06-14

    Melting thermodynamic data obtained by differential scanning calorimetry (DSC) are reported for 43 duplexed oligonucleotides containing one or more locked nucleic acid (LNA) substitutions. The measured heat capacity change (ΔC(p)) for the helix-to-coil transition is used to compute the changes in enthalpy and entropy for melting of an LNA-bearing duplex at the T(m) of its corresponding isosequential unmodified DNA duplex to allow rigorous thermodynamic analysis of the stability enhancements provided by LNA substitutions. Contrary to previous studies, our analysis shows that the origin of the improved stability is almost exclusively a net reduction (ΔΔS° thermodynamics and the increased melting temperature (ΔT(m)) of heteroduplexes formed between an unmodified DNA strand and a complementary strand containing any number and configuration of standard LNA nucleotides A, T, C, and G. This single-base thermodynamic (SBT) model requires only four entropy-related parameters in addition to ΔC(p). Finally, DSC data for 20 duplexes containing the nucleobase-modified LNAs 2-aminoadenine (D) and 2-thiothymine (H) are reported and used to determine SBT model parameters for D and H. The data and model suggest that along with the greater stability enhancement provided by D and H bases relative to their corresponding A and T analogues, the unique pseudocomplementary properties of D-H base pairs may make their use appealing for in vitro and in vivo applications.

  14. MeltMigrator: A MATLAB-based software for modeling three-dimensional melt migration and crustal thickness variations at mid-ocean ridges following a rules-based approach

    Science.gov (United States)

    Bai, Hailong; Montési, Laurent G. J.; Behn, Mark D.

    2017-01-01

    MeltMigrator is a MATLAB®-based melt migration software developed to process three-dimensional mantle temperature and velocity data from user-supplied numerical models of mid-ocean ridges, calculate melt production and melt migration trajectories in the mantle, estimate melt flux along plate boundaries, and predict crustal thickness distribution on the seafloor. MeltMigrator is also capable of calculating compositional evolution depending on the choice of petrologic melting model. Programmed in modules, MeltMigrator is highly customizable and can be expanded to a wide range of applications. We have applied it to complex mid-ocean ridge model settings, including transform faults, oblique segments, ridge migration, asymmetrical spreading, background mantle flow, and ridge-plume interaction. In this technical report, we include an example application to a segmented mid-ocean ridge. MeltMigrator is available as a supplement to this paper, and it is also available from GitHub and the University of Maryland Geodynamics Group website.

  15. Electron Beam Melting and Refining of Metals: Computational Modeling and Optimization

    Directory of Open Access Journals (Sweden)

    Veliko Donchev

    2013-10-01

    Full Text Available Computational modeling offers an opportunity for a better understanding and investigation of thermal transfer mechanisms. It can be used for the optimization of the electron beam melting process and for obtaining new materials with improved characteristics that have many applications in the power industry, medicine, instrument engineering, electronics, etc. A time-dependent 3D axis-symmetrical heat model for simulation of thermal transfer in metal ingots solidified in a water-cooled crucible at electron beam melting and refining (EBMR is developed. The model predicts the change in the temperature field in the casting ingot during the interaction of the beam with the material. A modified Pismen-Rekford numerical scheme to discretize the analytical model is developed. These equation systems, describing the thermal processes and main characteristics of the developed numerical method, are presented. In order to optimize the technological regimes, different criteria for better refinement and obtaining dendrite crystal structures are proposed. Analytical problems of mathematical optimization are formulated, discretized and heuristically solved by cluster methods. Using important for the practice simulation results, suggestions can be made for EBMR technology optimization. The proposed tool is important and useful for studying, control, optimization of EBMR process parameters and improving of the quality of the newly produced materials.

  16. Electron Beam Melting and Refining of Metals: Computational Modeling and Optimization.

    Science.gov (United States)

    Vutova, Katia; Donchev, Veliko

    2013-10-18

    Computational modeling offers an opportunity for a better understanding and investigation of thermal transfer mechanisms. It can be used for the optimization of the electron beam melting process and for obtaining new materials with improved characteristics that have many applications in the power industry, medicine, instrument engineering, electronics, etc. A time-dependent 3D axis-symmetrical heat model for simulation of thermal transfer in metal ingots solidified in a water-cooled crucible at electron beam melting and refining (EBMR) is developed. The model predicts the change in the temperature field in the casting ingot during the interaction of the beam with the material. A modified Pismen-Rekford numerical scheme to discretize the analytical model is developed. These equation systems, describing the thermal processes and main characteristics of the developed numerical method, are presented. In order to optimize the technological regimes, different criteria for better refinement and obtaining dendrite crystal structures are proposed. Analytical problems of mathematical optimization are formulated, discretized and heuristically solved by cluster methods. Using important for the practice simulation results, suggestions can be made for EBMR technology optimization. The proposed tool is important and useful for studying, control, optimization of EBMR process parameters and improving of the quality of the newly produced materials.

  17. Modelling capillary hysteresis effects on preferential flow through melting and cold layered snowpacks

    Science.gov (United States)

    Leroux, Nicolas R.; Pomeroy, John W.

    2017-09-01

    Accurate estimation of the amount and timing of water flux through melting snowpacks is important for runoff prediction in cold regions. Most existing snowmelt models only account for one-dimensional matrix flow and neglect to simulate the formation of preferential flow paths. Consideration of lateral and preferential flows has proven critical to improve the performance of soil and groundwater porous media flow models. A two-dimensional physically-based snowpack model that simulates snowmelt, refreezing of meltwater, heat and water flows, and preferential flow paths is presented. The model assumes thermal equilibrium between solid and liquid phases and uses recent snow physics advances to estimate snowpack hydraulic and thermal properties. For the first time, capillary hysteresis is accounted in a snowmelt model. A finite volume method is applied to solve for the 2D coupled heat and mass transfer equations. The model with capillary hysteresis provided better simulations of water suction at the wet to dry snow interface in a wetting snow sample than did a model that only accounted for the boundary drying curve. Capillary hysteresis also improved simulations of preferential flow path dynamics and the snowpack discharge hydrograph. Simulating preferential flow in a subfreezing snowpack allowed the model to generate ice layers, and increased the vertical exchange of energy, thus modelling a faster warming of the snowpack than would be possible without preferential flow. The model is thus capable of simulating many attributes of heterogeneous natural melting snowpacks. These features not only qualitatively improve water flow simulations, but improve the understanding of snowmelt flow processes for both level and sloping terrain, and illuminate how uncertainty in snowmelt-derived runoff calculations might be reduced through the inclusion of more realistic preferential flow through snowpacks.

  18. A new model for broadband waveguide to microstrip transition design

    Science.gov (United States)

    Ponchak, George E.; Downey, Alan N.

    1986-01-01

    A new model is presented which permits the prediction of the resonant frequencies created by antipodal finline waveguide to microstrip transitions. The transition is modeled as a tapered transmission line in series with an infinite set of coupled resonant circuits. The resonant circuits are modeled as simple microwave resonant cavities of which the resonant frequencies are easily determined. The model is developed and the resonant frequencies determined for several different transitions. Experimental results are given to confirm the models.

  19. A New Smoothed Particle Hydrodynamics (SPH) Formulation for Modelling Heat Conduction with Solidification and Melting

    CERN Document Server

    Farrokhpanah, Amirsaman; Mostaghimi, Javad

    2016-01-01

    When modelling phase change, the latent heat released (absorbed) during solidification (melting) must be included in the heat transfer equation. In this paper, different SPH methods for the implementation of latent heat, in the context of transient heat conduction, are derived and tested. First, SPH discretizations of two finite element methods are presented, but these prove to be computationally expensive. Then, by starting from a simple approximation and enhancing accuracy using different numerical treatments, a new SPH method is introduced, that is fast and easy to implement. An evaluation of this new method on various analytical and numerical results confirms its accuracy and robustness.

  20. Modelling the impact of submarine frontal melting and ice mélange on glacier dynamics

    OpenAIRE

    Krug, J.; G. Durand; Gagliardini, O.; J. Weiss

    2015-01-01

    International audience; Submarine melting of the calving face of tidewa-ter glaciers and the mechanical back force applied by the ice mélange layer are two mechanisms generally proposed to explain seasonal variations at the calving front of tide-water glaciers. However, the way these processes affect the calving rate and glacier dynamics remains uncertain. In this study, we used a finite element-based model that solves the full Stokes equations to simulate the impact of these forcings on two-...

  1. Phase Transition Properties of 3D Potts Models

    CERN Document Server

    Bazavov, Alexei; Dubey, Santosh

    2008-01-01

    Using multicanonical Metropolis simulations we estimate phase transition properties of 3D Potts models for q=4 to 10: The transition temperatures, latent heats, entropy gaps, normalized entropies at the disordered and ordered endpoints, interfacial tensions, and spinodal endpoints.

  2. Future projections of the Greenland ice sheet energy balance driving the surface melt, developed using the regional climate MAR model

    Directory of Open Access Journals (Sweden)

    B. Franco

    2012-07-01

    Full Text Available In this study, 25 km-simulations are performed over the Greenland ice sheet (GrIS throughout the 20th and 21st centuries, using the regional climate model MAR forced by four RCP scenarios from two CMIP5 global circulation models, in order to investigate the projected changes of the surface energy balance (SEB components driving the surface melt. Analysis of 2000–2100 melt anomalies compared to melt results over 1980–1999 reveals an exponential relationship of the GrIS surface melt rate simulated by MAR to the near-surface temperature (TAS anomalies, mainly due to the surface albedo positive feedback associated with the extension of bare ice areas in summer. On the GrIS margins, the future melt anomalies are rather driven by stronger sensible heat fluxes, induced by enhanced warm air advections over the ice sheet. Over the central dry snow zone, the increase of melt surpasses the negative feedback from heavier snowfall inducing therefore a decrease of the summer surface albedo even at the top of the ice sheet. In addition to the incoming longwave flux increase associated to the atmosphere warming, MAR projects an increase of the cloud cover decreasing the ratio of the incoming shortwave versus longwave radiation and dampening the albedo feedback. However, it should be noted that this trend in the cloud cover is contrary to that simulated by ERA-INTERIM-forced MAR over current climate, where the observed melt increase since the 1990's seems rather to be a consequence of more anticyclonic atmospheric conditions. Finally, no significant change is projected in the length of the melt season. This timing highlights the importance of solar radiation in the melt SEB.

  3. Quantifying melt production and degassing rate at mid-ocean ridges from global mantle convection models with plate motion history

    Science.gov (United States)

    Li, Mingming; Black, Benjamin; Zhong, Shijie; Manga, Michael; Rudolph, Maxwell L.; Olson, Peter

    2016-07-01

    The Earth's surface volcanism exerts first-order controls on the composition of the atmosphere and the climate. On Earth, the majority of surface volcanism occurs at mid-ocean ridges. In this study, based on the dependence of melt fraction on temperature, pressure, and composition, we compute melt production and degassing rate at mid-ocean ridges from three-dimensional global mantle convection models with plate motion history as the surface velocity boundary condition. By incorporating melting in global mantle convection models, we connect deep mantle convection to surface volcanism, with deep and shallow mantle processes internally consistent. We compare two methods to compute melt production: a tracer method and an Eulerian method. Our results show that melt production at mid-ocean ridges is mainly controlled by surface plate motion history, and that changes in plate tectonic motion, including plate reorganizations, may lead to significant deviation of melt production from the expected scaling with seafloor production rate. We also find a good correlation between melt production and degassing rate beneath mid-ocean ridges. The calculated global melt production and CO2 degassing rate at mid-ocean ridges varies by as much as a factor of 3 over the past 200 Myr. We show that mid-ocean ridge melt production and degassing rate would be much larger in the Cretaceous, and reached maximum values at ˜150-120 Ma. Our results raise the possibility that warmer climate in the Cretaceous could be due in part to high magmatic productivity and correspondingly high outgassing rates at mid-ocean ridges during that time.

  4. Energy modelling for economies in transition

    Energy Technology Data Exchange (ETDEWEB)

    Van Leeuwen, M.L.; Velthuijsen, J.W. [Foundation for Economic Research SEO, University of Amsterdam UvA, Amsterdam (Netherlands); Van Oostvoorn, F.; Voogt, M. [ECN Policy Study, Petten (Netherlands)

    1998-12-31

    The model system composed of a Computable General Equilibrium (CGE) E3 model and the least-cost energy sector model Energy Flow Optimization Model - Environment (EFOM-ENV) proved to be a useful support in developing long-term scenarios for several Central European and Eastern European (CEE) countries. Calculation results obtained from using the model.system could be used to support energy policy decisions in the framework of different possible future developments in energy demand and supply and related emissions, which is also consistent with macro-economic developments in the national economies. Also, and most important, the developments within the national (transition) economy could be made consistent with external developments (on a world and European Union (EU) level) that are envisioned in EC-scenarios. This facilitates the analysis of an increasing convergence process of different CEE countries towards the EU and could be useful in the policy dialogue on convergence. Empirical studies with the model system have shown that the interrelations between macro-economic indicators and important factors determining energy supply and demand could be dealt with in a transparent way. An assessment could be made of the impact of changes in economic structure, employment rate, trade balance, social security and public spending on the structure of energy demand, fuel mix, capacity requirements and related energy costs, and vice versa. Specific policy issues such as a restructuring of the Polish coal industry or determining the scope for CO2 reduction in Romania could be addressed and instruments could be identified to encounter these issues. Especially for policy makers in transition economies who are faced with many interactive changes, it is important to have a realistic insight in the scope and restrictions of future policy. Ambitions are often very high, but reaching certain objectives could be conflicting with others. Results obtained from calculations with the model

  5. Nonlinear response and dynamical transitions in a phase-field crystal model for adsorbed overlayers

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, J A P [Departamento de Ciencias Exatas, Universidade Estadual do Sudoeste da Bahia, 45000-000 Vitoria da Conquista, BA (Brazil); Granato, E [Laboratorio Associado de Sensores e Materiais, Instituto Nacional de Pesquisas Espaciais, 12245-970 Sao Jose dos Campos, SP (Brazil); Ying, S C; Ala-Nissila, T [Department of Physics, PO Box 1843, Brown University, Providence, RI 02912-1843 (United States); Achim, C V [Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11000, FI-00076 Aalto, Espoo (Finland); Elder, K R, E-mail: Jorge@las.inpe.b [Department of Physics, Oakland University, Rochester, Michigan 48309-4487 (United States)

    2010-09-01

    The nonlinear response and sliding friction behavior of a phase-field crystal model for driven adsorbed atomic layers is determined numerically. The model describes the layer as a continuous density field coupled to the pinning potential of the substrate and under an external driving force. Dynamical equations which take into account both thermal fluctuations and inertial effects are used for numerical simulations of commensurate and incommensurate layers. At low temperatures, the velocity response of an initially commensurate layer shows hysteresis with dynamical melting and freezing transitions at different critical forces. The main features of the sliding friction behavior are similar to the results obtained previously from molecular dynamics simulations of particle models. However, the dynamical transitions correspond to nucleations of stripes rather than closed domains.

  6. PyTransit: Fast and Easy Exoplanet Transit Modelling in Python

    CERN Document Server

    Parviainen, Hannu

    2015-01-01

    We present a fast and user friendly exoplanet transit light curve modelling package PyTransit, implementing optimised versions of the Gimen\\'ez and the Mandel & Agol transit models. The package offers an object-oriented Python interface to access the two models implemented natively in Fortran with OpenMP parallelisation. A partial OpenCL version of the quadratic Mandel-Agol model is also included for GPU-accelerated computations. The aim of PyTransit is to facilitate the analysis of photometric time series of exoplanet transits consisting of hundreds of thousands of datapoints, and of multi-passband transit light curves from spectrophotometric observations, as a part of a researcher's programming toolkit for building complex, problem-specific, analyses.

  7. The phase transition of Axelrod's model revisited

    CERN Document Server

    Reia, Sandro M

    2016-01-01

    Axelrod's model with $F=2$ cultural features, where each feature can assume $k$ states drawn from a Poisson distribution of parameter $q$, exhibits a continuous nonequilibrium phase transition in the square lattice. Here we use extensive Monte Carlo simulations and finite size scaling to study the critical behavior of the order parameter $\\rho$, which is the fraction of sites that belong to the largest domain of an absorbing configuration averaged over many runs. We find that it vanishes as $\\rho \\sim \\left (q_c^0 - q \\right)^\\beta$ with $\\beta \\approx 0.25$ at the critical point $q_c^0 \\approx 3.10$ and that the exponent that measures the width of the critical region is $\

  8. Prediction of melting temperatures in fluorescence in situ hybridization (FISH) procedures using thermodynamic models

    DEFF Research Database (Denmark)

    Fontenete, Sílvia; Guimarães, Nuno; Wengel, Jesper

    2016-01-01

    Abstract The thermodynamics and kinetics of DNA hybridization, i.e. the process of self-assembly of one, two or more complementary nucleic acid strands, has been studied for many years. The appearance of the nearest-neighbor model led to several theoretical and experimental papers on DNA thermody......Abstract The thermodynamics and kinetics of DNA hybridization, i.e. the process of self-assembly of one, two or more complementary nucleic acid strands, has been studied for many years. The appearance of the nearest-neighbor model led to several theoretical and experimental papers on DNA...... thermodynamics that provide reasonably accurate thermodynamic information on nucleic acid duplexes and allow estimation of the melting temperature. Because there are no thermodynamic models specifically developed to predict the hybridization temperature of a probe used in a fluorescence in situ hybridization...

  9. Modelling the impact of submarine frontal melting and ice mélange on glacier dynamics

    Science.gov (United States)

    Krug, J.; Durand, G.; Gagliardini, O.; Weiss, J.

    2015-01-01

    Two mechanisms are generally proposed to explain seasonal variations in the calving front of tidewater glaciers: submarine melting of the calving face and the mechanical back-force applied by the ice mélange. However, the way these processes affect the calving rate and the glacier dynamics remains uncertain. In this study, we used the finite element model Elmer/Ice to simulate the impact of these forcings on more than 200 two dimensional theoretical flowline glacier configurations. The model, which includes calving processes, suggests that frontal melting affects the position of the terminus only slightly (ice mélange has a greater impact on the advance and retreat cycles of the glacier front (more than several 1000 m) and its consequences for the mass balance are not completely negligible, stressing the need for better characterization of forcing properties. We also show that ice mélange forcing against the calving face can mechanically prevent crevasse propagation at sea level and hence prevent calving. Results also revealed different behaviors in grounded and floating glaciers: in the case of a floating extension, the heaviest forcings can disrupt the glacier equilibrium by modifying its buttressing and ice flux at the grounding line.

  10. Modelling the impact of submarine frontal melting and ice melange on glacier dynamics

    Science.gov (United States)

    Krug, J.; Durand, G.; Gagliardini, O.; Weiss, J.

    2015-05-01

    Submarine melting of the calving face of tidewater glaciers and the mechanical back force applied by the ice melange layer are two mechanisms generally proposed to explain seasonal variations at the calving front of tidewater glaciers. However, the way these processes affect the calving rate and glacier dynamics remains uncertain. In this study, we used a finite element-based model that solves the full Stokes equations to simulate the impact of these forcings on two-dimensional theoretical flow line glacier configurations. The model, which includes calving processes, suggests that frontal melting affects the position of the terminus only slightly (less than a few hundred metres) and does not affect the multiannual glacier mass balance at all. However, the ice melange has a greater impact on the advance and retreat cycles of the glacier front (more than several kilometres) and its consequences for the mass balance are not completely negligible, stressing the need for better characterization of forcing properties. We also show that ice melange forcing against the calving face can mechanically prevent crevasse propagation at sea level and hence prevent calving. Results also reveal different behaviours in grounded and floating glaciers: in the case of a floating extension, the strongest forcings can disrupt the glacier equilibrium by modifying its buttressing and ice flux at the grounding line.

  11. Modeling the Microstructure Evolution During Additive Manufacturing of Ti6Al4V: A Comparison Between Electron Beam Melting and Selective Laser Melting

    Science.gov (United States)

    Vastola, G.; Zhang, G.; Pei, Q. X.; Zhang, Y.-W.

    2016-05-01

    Beam-based additive manufacturing (AM) is an innovative technique in which parts are built layerwise, starting from the material in powder form. As a developing manufacturing technique, achievement of excellent mechanical properties in the final part is of paramount importance for the mainstream adoption of this technique in industrial manufacturing lines. At the same time, AM offers an unprecedented opportunity to precisely control the manufacturing conditions locally within the part during build, enabling local influence on the formation of the texture and microstructure. In order to achieve the control of microstructure by tailoring the AM machine parameters, a full understanding and modeling of the heat transfer and microstructure evolution processes is needed. Here, we show the implementation of the non-equilibrium equations for phase formation and dissolution in an AM modeling framework. The model is developed for the Ti6Al4V alloy and allows us to show microstructure evolution as given by the AM process. The developed capability is applied to the cases of electron beam melting and selective laser melting AM techniques to explain the significantly different microstructures observed in the two processes.

  12. Influence of Air Temperature Difference on the Snow Melting Simulation of SWAT Model

    Science.gov (United States)

    YAN, Y.; Onishi, T.

    2013-12-01

    The temperature-index models are commonly used to simulate the snowmelt process in mountain areas because of its good performance, low data requirements, and computational simplicity. Widely used distributed hydrological model: Soil and Water Assessment Tool (SWAT) model is also using a temperature-index module. However, the lack of monitoring air temperature data still involves uncertainties and errors in its simulation performance especially in data sparse area. Thus, to evaluate the different air temperature data influence on the snow melt of the SWAT model, five different air temperature data are applied in two different Russia basins (Birobidjan basin and Malinovka basin). The data include the monitoring air temperature data (TM), NCEP reanalysis data (TNCEP), the dataset created by inverse distance weighted interpolation (IDW) method (TIDW), the dataset created by improved IDW method considering the elevation influence (TIDWEle), and the dataset created by using linear regression and MODIS Land Surface Temperature (LST) data (TLST). Among these data, the TLST , the TIDW and TIDWEle data have the higher spatial density, while the TNCEP and TM DATA have the most valid monitoring value for daily scale. The daily simulation results during the snow melting seasons (March, April and May) showed reasonable results in both test basins for all air temperature data. While R2 and NSE in Birobidjan basin are around 0.6, these values in Malinovka basin are over 0.75. Two methods: Generalized Likelihood Uncertainty Estimation (GLUE) and Sequential Uncertainty Fitting, version. 2 (SUFI-2) were used for model calibration and uncertainty analysis. The evolution index is p-factor which means the percentage of measured data bracketed by the 95% Prediction Uncertainty (95PPU). The TLST dataset always obtained the best results in both basins compared with other datasets. On the other hand, the two IDW based method get the worst results among all the scenarios. Totally, the

  13. Predicting the fibre diameter of melt blown nonwovens: comparison of physical, statistical and artificial neural network models

    Science.gov (United States)

    Chen, Ting; Li, Liqing; Huang, Xiubao

    2005-06-01

    Physical, statistical and artificial neural network (ANN) models are established for predicting the fibre diameter of melt blown nonwovens from the processing parameters. The results show that the ANN model yields a very accurate prediction (average error of 0.013%), and a reasonably good ANN model can be achieved with relatively few data points. Because the physical model is based on the inherent physical principles of the phenomena of interest, it can yield reasonably good prediction results when experimental data are not available and the entire physical procedure is of interest. This area of research has great potential in the field of computer assisted design in melt blowing technology.

  14. Phase transitions in Thirring’s model

    Science.gov (United States)

    Campa, Alessandro; Casetti, Lapo; Latella, Ivan; Pérez-Madrid, Agustín; Ruffo, Stefano

    2016-07-01

    In his pioneering work on negative specific heat, Walter Thirring introduced a model that is solvable in the microcanonical ensemble. Here, we give a complete description of the phase-diagram of this model in both the microcanonical and the canonical ensemble, highlighting the main features of ensemble inequivalence. In both ensembles, we find a line of first-order phase transitions which ends in a critical point. However, neither the line nor the point have the same location in the phase-diagram of the two ensembles. We also show that the microcanonical and canonical critical points can be analytically related to each other using a Landau expansion of entropy and free energy, respectively, in analogy with what has been done in (Cohen and Mukamel 2012 J. Stat. Mech. P12017). Examples of systems with certain symmetries restricting the Landau expansion have been considered in this reference, while no such restrictions are present in Thirring’s model. This leads to a phase diagram that can be seen as a prototype for what happens in systems of particles with kinematic degrees of freedom dominated by long-range interactions.

  15. Dealing with selection bias in educational transition models

    DEFF Research Database (Denmark)

    Holm, Anders; Jæger, Mads Meier

    2011-01-01

    This paper proposes the bivariate probit selection model (BPSM) as an alternative to the traditional Mare model for analyzing educational transitions. The BPSM accounts for selection on unobserved variables by allowing for unobserved variables which affect the probability of making educational...... transitions to be correlated across transitions. We use simulated and real data to illustrate how the BPSM improves on the traditional Mare model in terms of correcting for selection bias and providing credible estimates of the effect of family background on educational success. We conclude that models which...... account for selection on unobserved variables and high-quality data are both required in order to estimate credible educational transition models....

  16. How to identify garnet lherzolite melts and distinguish them from pyroxenite melts

    Science.gov (United States)

    Grove, T. L.; Holbig, E.; Barr, J. A.; Till, C.; Krawczynski, M. J.

    2013-12-01

    Liquids form in equilibrium with garnet lherzolite sources when the Earth's mantle melts at depths of greater than ~ 60 km. We present a phase equilibrium investigation of Tibetan plateau olivine leucitites from 2.2 to 2.8 GPa and 1380 to 1480 °C. The resulting liquids were multiply saturated with spinel and garnet lherzolite assemblages (olivine, orthopyroxene, clinopyroxene and spinel +/-garnet) under nominally anhydrous conditions. These SiO2-undersaturated liquids and published experimental data have been used to develop a new model that parameterizes the major element compositions of garnet lherzolite partial melts, allowing the prediction of melt compositions from depleted to metasomatically enriched peridotite. The model is calibrated over the pressure range of 1.9 to 6 GPa. The model also predicts the suprasolidus pressure and temperature of the spinel to garnet lherzolite phase transition for natural peridotite compositions. Combined with the recent parameterization of melting in the plagioclase- and spinel- lherzolite facies (Till et al., 2012, JGR, 117, B06206), the new model distinguishes between melts of garnet vs. spinel vs. plagioclase lherzolites, but can also be used to distinguish between melts of lherzolitic vs. pyroxenitic source regions, allowing source lithology to be uniquely identified. Pyroxenite melts fall into two compositionally distinct groups; an olivine-normative, SiO2-undersaturated group and quartz-normative, SiO2-oversaturated group. Melts of plagioclase, spinel, and garnet lherzolite plot between these two types of pyroxenitic melts in mineral normative composition space. When our model is applied to high-K lavas erupted in the Tibetan plateau, we find that these magmas are derived from both pyroxenite and lherzolite source regions. Distinctive enrichments in compatible trace elements (Ni, Cr) are observed in the lherzolite-derived magmas. Applied to Hawaiian basalts, our model suggests the transitional and weakly alkaline pre

  17. Effect of Fe on the Martensitic Transition, Magnetic and Magnetocaloric Properties in Ni-Mn-In Melt-spun Ribbons

    Directory of Open Access Journals (Sweden)

    D.M. Raj kumar

    2016-06-01

    Full Text Available The effect of Fe on the martensitic transitions, magnetic and inverse magnetocaloric effect in Ni47Mn40-xFexIn13 ribbons (x = 1, 2, 3 and 5 has been investigated. All the ribbon compositions under study have shown the presence of austenite phase at room temperature. The variation of martensitic transition with the increase in Fe-content is non-monotonic. The thermal hysteresis of the martensitic transition increased with the increase in Fe-content. The martensitic transitions shifted to lower temperatures in the presence of high magnetic fields. A maximum magnetic entropy change (∆SM of 50 Jkg-1K-1 has been achieved in the Ni47Mn38Fe2In13 (x = 1 ribbon at 282 K for an applied field of 5 T.

  18. Modeling Yin-Yang Balance in Tai-Chi Diagram with a Melting-Freezing Rotating Device

    Institute of Scientific and Technical Information of China (English)

    Sui Lin; Tzu-Fang Chen

    2001-01-01

    This paper develops a physical model describing the Yin-Yang balance in the tai-chi diagrain via the melting and freezing processes taking place in a rotating device. First, a physical model is established for a melting and freezing rotating device applied for transferring heat from a heat source to a heat sink. The device consists of two concentric cylinders with a phase change material being filled between them. During the melting process, heat is supplied from the heat source to the device, and the phase change material in the device melts. The melting process is equivalent to yang in the tai-chi diagram. During the freezing process, heat is discharged from the device to the heat sink, and the phase change material in the device freezes. The freezing process is equivalent to yin in the tai-chi diagram. The moving phase boundaries of the melting and freezing processes form two curves,representing the interface curves between the yin and yang in the tai-chi diagram. The variation of the thermal strength in the heat source and heat sink represents the variation of the yin -yang balance in the tai-chi diagram.

  19. Prediction of bypass transition with differential Reynolds stress models

    NARCIS (Netherlands)

    Westin, K.J.A.; Henkes, R.A.W.M.

    1998-01-01

    Boundary layer transition induced by high levels of free stream turbulence (FSl), so called bypass transition, can not be predicted with conventional stability calculations (e.g. the en-method). The use of turbulence models for transition prediction has shown some success for this type of flows, and

  20. Dynamical phase transitions in the two-dimensional ANNNI model

    Energy Technology Data Exchange (ETDEWEB)

    Barber, M.N.; Derrida, B.

    1988-06-01

    We study the phase diagram of the two-dimensional anisotropic next-nearest neighbor Ising (ANNNI) model by comparing the time evolution of two distinct spin configurations submitted to the same thermal noise. We clearly se several dynamical transitions between ferromagnetic, paramagnetic, antiphase, and floating phases. These dynamical transitions seem to occur rather close to the transition lines determined previously in the literature.

  1. Testing recent charge-on-spring type polarizable water models. I. Melting temperature and ice properties

    Science.gov (United States)

    Kiss, Péter T.; Bertsyk, Péter; Baranyai, András

    2012-11-01

    We determined the freezing point of eight molecular models of water. All models use the charge-on-spring (COS) method to express polarization. The studied models were the COS/G2, COS/G3 [H. Yu and W. F. van Gunsteren, J. Chem. Phys. 121, 9549 (2004), 10.1063/1.1805516], the COS/B2 [H. Yu, T. Hansson, and W. F. van Gunsteren, J. Chem. Phys. 118, 221 (2003), 10.1063/1.1523915], the SWM4-DP [G. Lamoureux, A. D. MacKerell, Jr., and B. Roux, J. Chem. Phys. 119, 5185 (2003), 10.1063/1.1598191], the SWM4-NDP [G. Lamoureux, E. Harder, I. V. Vorobyov, B. Roux, and A. D. MacKerell, Jr., Chem. Phys. Lett. 418, 245 (2006), 10.1016/j.cplett.2005.10.135], and three versions of our model, the BKd1, BKd2, and BKd3. The BKd1 is the original Gaussian model [P. T. Kiss, M. Darvas, A. Baranyai, and P. Jedlovszky, J. Chem. Phys. 136, 114706 (2012), 10.1063/1.3692602] with constant polarization and with a simple exponential repulsion. The BKd2 applies field-dependent polarizability [A. Baranyai and P. T. Kiss, J. Chem. Phys. 135, 234110 (2011), 10.1063/1.3670962], while the BKd3 model has variable size to approximate the temperature-density (T-ρ) curve of water [P. T. Kiss and A. Baranyai, J. Chem. Phys. 137, 084506 (2012), 10.1063/1.4746419]. We used the thermodynamic integration (TI) and the Gibbs-Helmholtz equation to determine the equality of the free energy for liquid water and hexagonal ice (Ih) at 1 bar. We used the TIP4P and the SPC/E models as reference systems of the TI. The studied models severely underestimate the experimental melting point of ice Ih. The calculated freezing points of the models are the following: COS/G2, 215 K; COS/G3, 149 K; SWM4-DP, 186 K; BKd1, 207 K; BKd2, 213 K; BKd3, 233 K. The freezing temperature of the SWM4-NDP system is certainly below 120 K. It might even be that the water phase is more stable than the ice Ih at 1 bar in the full temperature range. The COS/B2 model melts below 100 K. The best result was obtained for the BKd3 model which

  2. Understanding the dynamics of rings in the melt in terms of the annealed tree model.

    Science.gov (United States)

    Smrek, Jan; Grosberg, Alexander Y

    2015-02-18

    The dynamical properties of a long polymer ring in a melt of unknotted and unconcatenated rings are calculated. We re-examine and generalize the well known model of a ring confined to a lattice of topological obstacles in light of the recently developed Flory theory of untangled rings which maps every ring on an annealed branched polymer and establishes that the backbone associated with each ring follows self-avoiding rather than Gaussian random walk statistics. We find the scaling of the ring relaxation time and diffusion coefficient with ring length, as well as the time dependence of stress relaxation modulus, zero shear viscosity and the mean square averaged displacements of both individual monomers and the ring's mass centre. Our results agree within error bars with all available experimental and simulation data of the ring melt, although the quality of the data so far is insufficient to make a definitive judgement for or against the annealed tree theory. At the end we review briefly the relation between our findings and experimental data on chromatin dynamics.

  3. Safety models incorporating graph theory based transit indicators.

    Science.gov (United States)

    Quintero, Liliana; Sayed, Tarek; Wahba, Mohamed M

    2013-01-01

    There is a considerable need for tools to enable the evaluation of the safety of transit networks at the planning stage. One interesting approach for the planning of public transportation systems is the study of networks. Network techniques involve the analysis of systems by viewing them as a graph composed of a set of vertices (nodes) and edges (links). Once the transport system is visualized as a graph, various network properties can be evaluated based on the relationships between the network elements. Several indicators can be calculated including connectivity, coverage, directness and complexity, among others. The main objective of this study is to investigate the relationship between network-based transit indicators and safety. The study develops macro-level collision prediction models that explicitly incorporate transit physical and operational elements and transit network indicators as explanatory variables. Several macro-level (zonal) collision prediction models were developed using a generalized linear regression technique, assuming a negative binomial error structure. The models were grouped into four main themes: transit infrastructure, transit network topology, transit route design, and transit performance and operations. The safety models showed that collisions were significantly associated with transit network properties such as: connectivity, coverage, overlapping degree and the Local Index of Transit Availability. As well, the models showed a significant relationship between collisions and some transit physical and operational attributes such as the number of routes, frequency of routes, bus density, length of bus and 3+ priority lanes.

  4. Snow/ice melt precipitation runoff modelling of glaciers in the Bhutan himalaya

    Science.gov (United States)

    Payer, T.; Leber, D.; Haeusler, H.; Brauner, M.; Wangda, D.

    2003-04-01

    After the 1994 outburst of the Luggye glacier lake in Northern Bhutan, the Royal Bhutanese Government initiated a project on GLOF risk reduction and mitigation measures in the Pho River headwaters. The approach to model snow/ice melt and precipitation of this high mountain system with few measured data only was a request of this integrated geoscientific project. The size of the test area for runoff modelling is about 50 km2 and comprises an interlinked glacier system of 3 glaciers and moraine dammed glacier lakes. The model proposed for the Luggye catchment area is based on records from a nearby weather station at Thanza (4150 m altitude) available for the years 2000-2001, a high resolution digital elevation model and the total surface discharge of the Luggye test area, calculated from the Luggye outlet hydrograph. Using the digital elevation model, the catchment area and the surface of the glaciers, up to 7000 m altitude, was divided into 100-meter elevation layers. Precipitation and mean air temperature from Thanza were extrapolated according to the best fitting results. Prominent single temperature and precipitation “events” recorded at Thanza can be related to discharge “events” in the Luggye hydrograph and allow for calculation of time lag and lapse rates. The modelled discharge is calculated as the total of the three simulated components, namely base flow, melt water from snow and ice, and precipitation. The model proposed can be interactively evaluated by best fitting of the model hydrograph to the measured hydrograph. This simulation was achieved using temperature lapse rates of -0.4 to -0.45 °C/100 m during the summer monsoon period, a degree/day factor of 6 to 8 l/(m2*day*°C), and the decrease of precipitation with approximately 7% per 100-meter altitude. Although many assumptions have to be taken for non-extreme weather conditions, the very good correlation of 0.97 between runoff modelling and the real discharge hydrograph highlights the

  5. Directional melting and solidification of gallium in a traveling magnetic field as a model experiment for silicon processes

    Science.gov (United States)

    Dadzis, K.; Lukin, G.; Meier, D.; Bönisch, P.; Sylla, L.; Pätzold, O.

    2016-07-01

    Small-scale model experiments for directional solidification processes are performed using a gallium volume with a square horizontal cross-section and dimensions of 10×10×7.5 cm3. A heater at the top and a cooler at the bottom generate a vertical temperature gradient while an external coil system produces a traveling magnetic field (TMF) leading to Lorentz forces in the melt. The position and shape of the phase interface as well as the melt flow during melting and solidification processes are investigated both experimentally and with a coupled 3D numerical model. Uncertainty in various experimental parameters and appropriate methods of calibration are discussed to enable precise validation of numerical simulations. A distinct influence of the melt flow is observed, which results in a concave melting interface with an upward TMF and a convex shape with a downward TMF. In both cases, the corner region demonstrates local deflections in the opposite directions, which illustrates the challenge to obtain a smooth interface shape in silicon solidification processes. These processes can be further investigated using the validated 3D model. Additionally, direct transfer of the results between model experiments and silicon processes using scaling laws is discussed.

  6. Modeling of surface melting and resolidification for pure metals and binary alloys: Effect of non-equilibrium kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Wang, G.X.; Matthys, E.F. [Univ. of California, Santa Barbara, CA (United States). Dept. of Mechanical and Environmental Engineering

    1995-12-31

    A one-dimensional model including non-equilibrium phenomena was developed for surface melting and resolidification of both pure metals and binary alloys substrates. Non-equilibrium kinetics from crystal growth theory are introduced in the model to treat both non-equilibrium melting and resolidification. The modelled problem involves a moving boundary with both heat and solute diffusions and is solved by an implicit control volume integral method with solid/liquid interface immobilization by coordinate transformation. For illustration of the model applicability, the authors have analyzed laser surface melting of pure metals (Al, Cu, Ni, Ti) and dilute Al-Cu alloys, and some typical results are presented. The computation results show large solid overheating and melt undercooling which result from the high heat flux and the slow kinetics. The melt undercooling is maintained during most of the resolidification process and so is the high solidification rate. Complex interface velocity variations during the earlier stages of resolidification were obtained and result from interactions between various physical mechanisms. A strong effect of the solute on the interface velocity was also predicted.

  7. CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals.

    Science.gov (United States)

    Bhhatarai, Barun; Teetz, Wolfram; Liu, Tao; Öberg, Tomas; Jeliazkova, Nina; Kochev, Nikolay; Pukalov, Ognyan; Tetko, Igor V; Kovarich, Simona; Papa, Ester; Gramatica, Paola

    2011-03-14

    Quantitative structure property relationship (QSPR) studies on per- and polyfluorinated chemicals (PFCs) on melting point (MP) and boiling point (BP) are presented. The training and prediction chemicals used for developing and validating the models were selected from Syracuse PhysProp database and literatures. The available experimental data sets were split in two different ways: a) random selection on response value, and b) structural similarity verified by self-organizing-map (SOM), in order to propose reliable predictive models, developed only on the training sets and externally verified on the prediction sets. Individual linear and non-linear approaches based models developed by different CADASTER partners on 0D-2D Dragon descriptors, E-state descriptors and fragment based descriptors as well as consensus model and their predictions are presented. In addition, the predictive performance of the developed models was verified on a blind external validation set (EV-set) prepared using PERFORCE database on 15 MP and 25 BP data respectively. This database contains only long chain perfluoro-alkylated chemicals, particularly monitored by regulatory agencies like US-EPA and EU-REACH. QSPR models with internal and external validation on two different external prediction/validation sets and study of applicability-domain highlighting the robustness and high accuracy of the models are discussed. Finally, MPs for additional 303 PFCs and BPs for 271 PFCs were predicted for which experimental measurements are unknown. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. A new algebraic transition model based on stress length function

    Science.gov (United States)

    Xiao, Meng-Juan; She, Zhen-Su

    2016-11-01

    Transition, as one of the two biggest challenges in turbulence research, is of critical importance for engineering application. For decades, the fundamental research seems to be unable to capture the quantitative details in real transition process. On the other hand, numerous empirical parameters in engineering transition models provide no unified description of the transition under varying physical conditions. Recently, we proposed a symmetry-based approach to canonical wall turbulence based on stress length function, which is here extended to describe the transition via a new algebraic transition model. With a multi-layer analytic form of the stress length function in both the streamwise and wall normal directions, the new model gives rise to accurate description of the mean field and friction coefficient, comparing with both the experimental and DNS results at different inlet conditions. Different types of transition process, such as the transition with varying incoming turbulence intensities or that with blow and suck disturbance, are described by only two or three model parameters, each of which has their own specific physical interpretation. Thus, the model enables one to extract physical information from both experimental and DNS data to reproduce the transition process, which may prelude to a new class of generalized transition model for engineering applications.

  9. The success of Fermi gas model for overall scaling of 2D metal-to-insulator transition data

    Science.gov (United States)

    Cheremisin, M. V.

    2017-03-01

    The melting condition for two-dimensional Wigner solid (Platzman and Fukuyama, 1974) [14] is shown to contain an error of a factor of π. The analysis of experimental data for apparent 2D metal-to-insulator transition shows that the Wigner solidification (Tanatar and Ceperley, 1989) [16] has been never achieved. Within routine Fermi gas model both the metallic and insulating behavior of different 2D system for actual range of carrier densities and temperatures is explained.

  10. Melting of sodium clusters

    CERN Document Server

    Reyes-Nava, J A; Beltran, M R; Michaelian, K

    2002-01-01

    Thermal stability properties and the melting-like transition of Na_n, n=13-147, clusters are studied through microcanonical molecular dynamics simulations. The metallic bonding in the sodium clusters is mimicked by a many-body Gupta potential based on the second moment approximation of a tight-binding Hamiltonian. The characteristics of the solid-to-liquid transition in the sodium clusters are analyzed by calculating physical quantities like caloric curves, heat capacities, and root-mean-square bond length fluctuations using simulation times of several nanoseconds. Distinct melting mechanisms are obtained for the sodium clusters in the size range investigated. The calculated melting temperatures show an irregular variation with the cluster size, in qualitative agreement with recent experimental results. However, the calculated melting point for the Na_55 cluster is about 40 % lower than the experimental value.

  11. Amorphous-crystalline transition layers formation during quenching of Fe61 Co7 Zr10 Mo5 W2B15 melt

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    New Fe-based multicomponent amorphous alloys have been developed recently based on empirical rulesfor large glass forming ability(GFA). In the present investigation, the master alloy ingot with the nominal composi-tion of Fe61 Co7 Zr10 Mo5 W2 B15 (mole fraction, %) was prepared by arc-melting under Ti-gettered Ar atmosphere.The Fe-based buttons with different transverse cross sections were fabricated by arc-melting method, and the d 2.5mm Fe-based rods were manufactured by injection technique. Characterization of the ingots and the parameters asso-ciated with the thermal stability were carried out by X-ray diffractometry(XRD) and high temperature differential scan-ning calorimeter(DSC), respectively. The interval of the supercooled liquid region is 39 K for the Fe-based alloy. The GFAof Fe-based alloys is relatively lower, to the buttons obtained are all crystallized. The Fe-based rod exhibites a high Vickershardness up to HV 1 329. In addition, an amorphous-crystalline transition layers are observed in the rod. This transitionzone is caused by unhomogeneous temperature distribution and relatively lower GFA for Fe-based alloys.

  12. Cenozoic volcanic rocks in the Belog Co area, Qiangtang, northern Tibet, China: Petrochemical evidence for partial melting of the mantle-crust transition zone

    Institute of Scientific and Technical Information of China (English)

    LAI Shaocong; QIN Jiangfeng; LI Yongfeng; LIU Xin

    2007-01-01

    Neogene volcanic rocks in the Belog Co area, Qiangtang, northern Tibet, are represented by a typical intermediate-basic and intermediate alkaline rock association, with latite-trachyte as the main rock type. The results of chemical analysis are: SiO2=52%-62%, Al2O3>15%, Na2O/K2O>1 and MgO<3.30%. In addition, the volcanic rocks are LREE-enriched with LREE/HREE=10-13, (La/Yb)N=15-19, and show a weak negative Eu anomaly with δEu=0.71-0.89. The close relationship between Mg# and SiO2 and the co-variation of the magmatophile elements and ultra-magmatophile elements such as La/Sm-La and Cr-Tb indicate that this association of volcanic rocks is the product of comagmatic fractional crystallization. The rock association type and lower Sm/Yb values (Sm/Yb=3.23-3.97) imply that this association of volcanic rocks should have originated from partial melting of spinel lherzolite in the lithospheric mantle. On the other hand, the weak negative Eu anomaly and relative depletion in Nb, Ta and Ti reflect the features of terrigenous magma. So the Neogene Belog Co alkaline volcanic rocks should be the result of partial melting of the special crust-mantle transition zone on the Qinghai-Tibet Plateau.

  13. Waveform modeling of the seismic response of a mid-ocean ridge axial melt sill

    Science.gov (United States)

    Xu, Min; Stephen, R. A.; Canales, J. Pablo

    2017-02-01

    Seismic reflections from axial magma lens (AML) are commonly observed along many mid-ocean ridges, and are thought to arise from the negative impedance contrast between a solid, high-speed lid and the underlying low-speed, molten or partially molten (mush) sill. The polarity of the AML reflection (P AML P) at vertical incidence and the amplitude vs offset (AVO) behavior of the AML reflections (e.g., P AML P and S-converted P AML S waves) are often used as a diagnostic tool for the nature of the low-speed sill. Time-domain finite difference calculations for two-dimensional laterally homogeneous models show some scenarios make the interpretation of melt content from partial-offset stacks of P- and S-waves difficult. Laterally heterogeneous model calculations indicate diffractions from the edges of the finite-width AML reducing the amplitude of the AML reflections. Rough seafloor and/or a rough AML surface can also greatly reduce the amplitude of peg-leg multiples because of scattering and destructive interference. Mid-crustal seismic reflection events are observed in the three-dimensional multi-channel seismic dataset acquired over the RIDGE-2000 Integrated Study Site at East Pacific Rise (EPR, cruise MGL0812). Modeling indicates that the mid-crustal seismic reflection reflections are unlikely to arise from peg-leg multiples of the AML reflections, P-to-S converted phases, or scattering due to rough topography, but could probably arise from deeper multiple magma sills. Our results support the identification of Marjanović et al. (Nat Geosci 7(11):825-829, 2014) that a multi-level complex of melt lenses is present beneath the axis of the EPR.

  14. Modeling of ocean-induced ice melt rates of five west Greenland glaciers over the past two decades

    NARCIS (Netherlands)

    Rignot, E.; Xu, Y.; Menemenlis, D.; Mouginot, J.; Scheuchl, B.; Li, X.; Morlighem, M.; Seroussi, H.; van den Broeke, M.|info:eu-repo/dai/nl/073765643; Fenty, I.; Cai, C.; An, L.; de Fleurian, B.

    2016-01-01

    High-resolution, three-dimensional simulations from the Massachusetts Institute of Technology general circulation model ocean model are used to calculate the subaqueous melt rate of the calving faces of Umiamako, Rinks, Kangerdlugssup, Store, and Kangilerngata glaciers, west Greenland, from 1992 to

  15. Phase transition in the ABC model

    Science.gov (United States)

    Clincy, M.; Derrida, B.; Evans, M. R.

    2003-06-01

    Recent studies have shown that one-dimensional driven systems can exhibit phase separation even if the dynamics is governed by local rules. The ABC model, which comprises three particle species that diffuse asymmetrically around a ring, shows anomalous coarsening into a phase separated steady state. In the limiting case in which the dynamics is symmetric and the parameter q describing the asymmetry tends to one, no phase separation occurs and the steady state of the system is disordered. In the present work, we consider the weak asymmetry regime q=exp(-β/N), where N is the system size, and study how the disordered state is approached. In the case of equal densities, we find that the system exhibits a second-order phase transition at some nonzero βc. The value of βc=2π(3) and the optimal profiles can be obtained by writing the exact large deviation functional. For nonequal densities, we write down mean-field equations and analyze some of their predictions.

  16. A Melting Layer Model for Passive/Active Microwave Remote Sensing Applications. Part 2; Simulation of TRMM Observations

    Science.gov (United States)

    Olson, William S.; Bauer, Peter; Kummerow, Christian D.; Tao, Wei-Kuo

    2000-01-01

    The one-dimensional, steady-state melting layer model developed in Part I of this study is used to calculate both the microphysical and radiative properties of melting precipitation, based upon the computed concentrations of snow and graupel just above the freezing level at applicable horizontal gridpoints of 3-dimensional cloud resolving model simulations. The modified 3-dimensional distributions of precipitation properties serve as input to radiative transfer calculations of upwelling radiances and radar extinction/reflectivities at the TRMM Microwave Imager (TMI) and Precipitation Radar (PR) frequencies, respectively. At the resolution of the cloud resolving model grids (approx. 1 km), upwelling radiances generally increase if mixed-phase precipitation is included in the model atmosphere. The magnitude of the increase depends upon the optical thickness of the cloud and precipitation, as well as the scattering characteristics of ice-phase precipitation aloft. Over the set of cloud resolving model simulations utilized in this study, maximum radiance increases of 43, 28, 18, and 10 K are simulated at 10.65, 19.35 GHz, 37.0, and 85.5 GHz, respectively. The impact of melting on TMI-measured radiances is determined not only by the physics of the melting particles but also by the horizontal extent of the melting precipitation, since the lower-frequency channels have footprints that extend over 10''s of kilometers. At TMI resolution, the maximum radiance increases are 16, 15, 12, and 9 K at the same frequencies. Simulated PR extinction and reflectivities in the melting layer can increase dramatically if mixed-phase precipitation is included, a result consistent with previous studies. Maximum increases of 0.46 (-2 dB) in extinction optical depth and 5 dBZ in reflectivity are simulated based upon the set of cloud resolving model simulations.

  17. Melt rate sensitivities underneath Pine Island Ice Shelf derived from an adjoint general circulation model

    OpenAIRE

    Losch, Martin; Heimbach, Patrick

    2012-01-01

    Increased melt rates under floating ice shelves around Antarctica have been suggested as a dominant cause for observed acceleration of marine ice sheets that feed these ice shelves. The associated melt rates are difficult to observe directly. We present first steps towards estimating the melt rates underneath floating ice shelves from accessible hydrography data and optimal control methods. We address to which extent ocean hydrographic observations away from the ice-ocean boundary can be...

  18. Modelling the influence of the gas to melt ratio on the fraction solid of the surface in spray formed billets

    DEFF Research Database (Denmark)

    Hattel, Jesper Henri; Pryds, Nini

    2006-01-01

    In this paper, the relationship between the Gas to Melt Ratio (GMR) and the solid fraction of an evolving billet surface is investigated numerically. The basis for the analysis is a recently developed integrated procedure for modelling the entire spray forming process. This model includes...... is the summation of “local” droplet size distributions along the r-axis of the spray cone. The criterion for a successful process has been a predefined process window characterised by a desired solid fraction range at a certain distance from the atomizer. Inside this process window, the gas and melt flows have...

  19. Incorporation of a physically based melt pond scheme into the sea ice component of a climate model

    OpenAIRE

    Flocco, Daniela; Feltham, Danny; Turner, Adrian K.

    2010-01-01

    The extent and thickness of the Arctic sea ice cover has decreased dramatically in the past few decades with minima in sea ice extent in September 2005 and 2007. These minima have not been predicted in the IPCC AR4 report, suggesting that the sea ice component of climate models should more realistically represent the processes controlling the sea ice mass balance. One of the processes poorly represented in sea ice models is the formation and evolution of melt ponds. Melt ponds accumulate on t...

  20. Snow accumulation/melting model (SAMM for integrated use in regional scale landslide early warning systems

    Directory of Open Access Journals (Sweden)

    G. Martelloni

    2013-03-01

    Full Text Available We propose a simple snow accumulation/melting model (SAMM to be applied at regional scale in conjunction with landslide warning systems based on empirical rainfall thresholds. SAMM is based on two modules modelling the snow accumulation and the snowmelt processes. Each module is composed by two equations: a conservation of mass equation is solved to model snowpack thickness and an empirical equation for the snow density. The model depends on 13 empirical parameters, whose optimal values were defined with an optimisation algorithm (simplex flexible using calibration measures of snowpack thickness. From an operational point of view, SAMM uses as input data only temperature and rainfall measurements, bringing about the additional benefit of a relatively easy implementation. After performing a cross validation and a comparison with two simpler temperature index models, we simulated an operational employment in a regional scale landslide early warning system (EWS and we found that the EWS forecasting effectiveness was substantially improved when used in conjunction with SAMM.

  1. THE SEMIEMPIRICAL MODEL OF THE MULTICOMPONENT BUBBLE BEHAVIOUR IN GLASS MELTS

    Directory of Open Access Journals (Sweden)

    LUBOMÍR NĚMEC

    2012-12-01

    Full Text Available A semi-empirical model of the bubble growth and dissolution in glasses with a fining agent has been derived. This model applies the experimental data from bubble observation at melting and fining temperatures. The experimental data needed for the model involved the temperature dependences of the average growth rate of the bubble radius and the average concentration of the fining gas in the bubbles. Both sets of values were measured in the laboratory in the glass of the float type and applied in the model. The measurements of the solubilities and diffusion coefficients of the gases present in the glass – needed for the analytical model of multicomponent bubbles – were thus avoided. The course of the partial bubble absorption with the temperature decreasing was simulated by means of two factors modifying the experimental values of the bubble growth rates at constant temperature. The temperature dependence of the resulting bubble growth rate qualitatively corresponded to the experimental observations in the soda-lime-silica glass, but a more detailed experimental and comparative study has yet to be performed. Such a study is being prepared.

  2. Preon model and cosmological quantum-hyperchromodynamic phase transition

    Science.gov (United States)

    Nishimura, H.; Hayashi, Y.

    1987-05-01

    From the cosmological viewpoint, we investigate whether or not recent preon models are compatible with the picture of the first-order phase transition from the preon phase to the composite quark-lepton phase. It is shown that the current models accepting the 't Hooft anomaly-matching condition together with quantum hyperchromodynamics are consistent with the cosmological first-order phase transition.

  3. Selection Bias in Educational Transition Models: Theory and Empirical Evidence

    DEFF Research Database (Denmark)

    Holm, Anders; Jæger, Mads

    Most studies using Mare’s (1980, 1981) seminal model of educational transitions find that the effect of family background decreases across transitions. Recently, Cameron and Heckman (1998, 2001) have argued that the “waning coefficients” in the Mare model are driven by selection on unobserved...... the United States, United Kingdom, Denmark, and the Netherlands shows that when we take selection into account the effect of family background variables on educational transitions is largely constant across transitions. We also discuss several difficulties in estimating educational transition models which...... variables. This paper, first, explains theoretically how selection on unobserved variables leads to waning coefficients and, second, illustrates empirically how selection leads to biased estimates of the effect of family background on educational transitions. Our empirical analysis using data from...

  4. Modelling the geometry of a moving laser melt pool and deposition track via energy and mass balances

    Science.gov (United States)

    Pinkerton, Andrew J.; Li, Lin

    2004-07-01

    The additive manufacturing technique of laser direct metal deposition allows multiple tracks of full density metallic material to be built to form complex parts for rapid tooling and manufacture. Practical results and theoretical models have shown that the geometries of the tracks are governed by multiple factors. Original work with single layer cladding identified three basic clad profiles but, so far, models of multiple layer, powder-feed deposition have been based on only two of them. At higher powder mass flow rates, experimental results have shown that a layer's width can become greater than the melt pool width at the substrate surface, but previous analytical models have not been able to accommodate this. In this paper, a model based on this third profile is established and experimentally verified. The model concentrates on mathematical analysis of the melt pool and establishes mass and energy balances based on one-dimensional heat conduction to the substrate. Deposition track limits are considered as arcs of circles rather than of ellipses, as used in most established models, reflecting the dominance of surface tension forces in the melt pool, and expressions for elongation of the melt pool with increasing traverse speed are incorporated. Trends in layer width and height with major process parameters are captured and predicted layer dimensions correspond well to the experimental values.

  5. Effects of heating conditions on the glass transition parameters of amorphous sucrose produced by melt-quenching.

    Science.gov (United States)

    Lee, Joo Won; Thomas, Leonard C; Schmidt, Shelly J

    2011-04-13

    This research investigates the effects of heating conditions used to produce amorphous sucrose on its glass transition (T(g)) parameters, because the loss of crystalline structure in sucrose is caused by the kinetic process of thermal decomposition. Amorphous sucrose samples were prepared by heating at three different scan rates (1, 10, and 25 °C/min) using a standard differential scanning calorimetry (SDSC) method and by holding at three different isothermal temperatures (120, 132, and 138 °C) using a quasi-isothermal modulated DSC (MDSC) method. In general, the quasi-isothermal MDSC method (lower temperatures for longer times) exhibited lower T(g) values, larger ΔC(p) values, and broader glass transition ranges (i.e., T(g end) minus T(g onset)) than the SDSC method (higher temperatures for shorter times), except at a heating rate of 1 °C/min, which exhibited the lowest T(g) values, the highest ΔC(p), and the broadest glass transition range. This research showed that, depending on the heating conditions employed, a different amount and variety of sucrose thermal decomposition components may be formed, giving rise to wide variation in the amorphous sucrose T(g) values. Thus, the variation observed in the literature T(g) values for amorphous sucrose produced by thermal methods is, in part, due to differences in the heating conditions employed.

  6. Implementation of a thermomechanical model for the simulation of selective laser melting

    Energy Technology Data Exchange (ETDEWEB)

    Hodge, N. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Ferencz, R. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Solberg, J. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-07-01

    Selective laser melting (SLM) is an additive manufacturing process in which multiple, successive layers of metal powders are heated via laser in order to build a part. Modeling of SLM requires consideration of both heat transfer and solid mechanics. The present work describes continuum modeling of SLM as envisioned for eventual support of part-scale modeling of this fabrication process to determine end-state information such as residual stresses and distortion. The determination of the evolving temperatures is dependent on the material, the state of the material (powder or solid), the specified heating, and the configuration. Similarly, the current configuration is dependent on the temperatures, the powder-solid state, and the constitutive models. A multi-physics numerical formulation is required to solve such problems. This article describes the problem formulation, numerical method, and constitutive parameters necessary to solve such a problem. Additionally, various verification and example problems are simulated in the parallel, multi-physics finite element code Diablo, and the results presented herein.

  7. Implementation of a thermomechanical model for the simulation of selective laser melting

    Science.gov (United States)

    Hodge, N. E.; Ferencz, R. M.; Solberg, J. M.

    2014-07-01

    Selective laser melting (SLM) is an additive manufacturing process in which multiple, successive layers of metal powders are heated via laser in order to build a part. Modeling of SLM requires consideration of both heat transfer and solid mechanics. The present work describes continuum modeling of SLM as envisioned for eventual support of part-scale modeling of this fabrication process to determine end-state information such as residual stresses and distortion. The determination of the evolving temperatures is dependent on the material, the state of the material (powder or solid), the specified heating, and the configuration. Similarly, the current configuration is dependent on the temperatures, the powder-solid state, and the constitutive models. A multi-physics numerical formulation is required to solve such problems. This article describes the problem formulation, numerical method, and constitutive parameters necessary to solve such a problem. Additionally, various verification and example problems are simulated in the parallel, multi-physics finite element code Diablo, and the results presented herein.

  8. A theoretical model of isotopic fractionation by thermal diffusion and its implementation on silicate melts

    Science.gov (United States)

    Xuefang, L.; Liu, Y.

    2015-12-01

    Huang et al (2010) found that Fe, Ca and Mg isotope fractionations of high-temperature silicate melts are only associated with the temperature gradients in thermal diffusion processes and are independent of compositions and mean temperatures [1]. Richter et al (2010) doubted that the existing data are sufficient to obtain such conclusion [2]. A few theoretical models have been proposed for explaining isotopic fractionations in these processes under high temperatures [3, 4]. However, molecular-level mechanisms and theoretical treatments of these processes are still under debating. Here we provide a unified theory based on the local thermodynamic equilibrium treatment (LTE) of statistical mechanics for evaluating thermal isotopic fractionations under a wide range of temperatures. Under high temperatures, our theory however can be reasonably approximated to this equation: where A and B are constants which are related to specific isotope systems and chemical compositions of silicate melts. If the thermal gradient is not very large and the mean temperature is high, the second part of the above equation can be safely neglected and obtain an extremely simple equation which is linearly depended on temperatures, agreeing with what Huang et al (2010) concluded. Based on this terse equation, we can not only easily provide isotope fractionation data for almost all kinds of isotope systems, but also can provide the mechanisms of isotope fractionation in thermal diffusion processes. [1] Huang et al (2010) Nature 464, 396-400. [2] Richter et al (2010) Nature 472, E1-E1. [3] Dominguez et al (2011) Nature 473, 70-73.

  9. Thresholds and Smooth Transitions in Vector Autoregressive Models

    DEFF Research Database (Denmark)

    Hubrich, Kirstin; Teräsvirta, Timo

    This survey focuses on two families of nonlinear vector time series models, the family of Vector Threshold Regression models and that of Vector Smooth Transition Regression models. These two model classes contain incomplete models in the sense that strongly exogeneous variables are allowed...... in the equations. The emphasis is on stationary models, but the considerations also include nonstationary Vector Threshold Regression and Vector Smooth Transition Regression models with cointegrated variables. Model specification, estimation and evaluation is considered, and the use of the models illustrated...

  10. Meteorological conditions associated to high sublimation amounts in semiarid high-elevation Andes decrease the performance of empirical melt models

    Science.gov (United States)

    Ayala, Alvaro; Pellicciotti, Francesca; MacDonell, Shelley; McPhee, James; Burlando, Paolo

    2015-04-01

    Empirical melt (EM) models are often preferred to surface energy balance (SEB) models to calculate melt amounts of snow and ice in hydrological modelling of high-elevation catchments. The most common reasons to support this decision are that, in comparison to SEB models, EM models require lower levels of meteorological data, complexity and computational costs. However, EM models assume that melt can be characterized by means of a few index variables only, and their results strongly depend on the transferability in space and time of the calibrated empirical parameters. In addition, they are intrinsically limited in accounting for specific process components, the complexity of which cannot be easily reconciled with the empirical nature of the model. As an example of an EM model, in this study we use the Enhanced Temperature Index (ETI) model, which calculates melt amounts using air temperature and the shortwave radiation balance as index variables. We evaluate the performance of the ETI model on dry high-elevation sites where sublimation amounts - that are not explicitly accounted for the EM model - represent a relevant percentage of total ablation (1.1 to 8.7%). We analyse a data set of four Automatic Weather Stations (AWS), which were collected during the ablation season 2013-14, at elevations between 3466 and 4775 m asl, on the glaciers El Tapado, San Francisco, Bello and El Yeso, which are located in the semiarid Andes of central Chile. We complement our analysis using data from past studies in Juncal Norte Glacier (Chile) and Haut Glacier d'Arolla (Switzerland), during the ablation seasons 2008-09 and 2006, respectively. We use the results of a SEB model, applied to each study site, along the entire season, to calibrate the ETI model. The ETI model was not designed to calculate sublimation amounts, however, results show that their ability is low also to simulate melt amounts at sites where sublimation represents larger percentages of total ablation. In fact, we

  11. Modelling the evaporation of boron species. Part 1: Alkali-free borosilicate glass melts

    NARCIS (Netherlands)

    Limpt, J.A.C. van; Beerkens, R.G.C.; Cook, S.; O'Connor, R.; Simon, J.

    2011-01-01

    A laboratory test facility has been used to measure the boron evaporation rates from borosilicate glass melts. The impact of furnace atmosphere composition and glass melt composition on the temperature dependent boron evaporation rates has been investigated experimentally. In Part 1 of this paper th

  12. Modelling the evaporation of boron species. Part 1: Alkali-free borosilicate glass melts

    NARCIS (Netherlands)

    Limpt, J.A.C. van; Beerkens, R.G.C.; Cook, S.; O'Connor, R.; Simon, J.

    2011-01-01

    A laboratory test facility has been used to measure the boron evaporation rates from borosilicate glass melts. The impact of furnace atmosphere composition and glass melt composition on the temperature dependent boron evaporation rates has been investigated experimentally. In Part 1 of this paper th

  13. Transition times in the Landau-Zener model

    CERN Document Server

    Vitanov, N V

    1999-01-01

    This paper presents analytic formulas for various transition times in the Landau-Zener model. Considerable differences are found between the transition times in the diabatic and adiabatic bases, and between the jump time (the time for which the transition probability rises to the region of its asymptotic value) and the relaxation time (the characteristic damping time of the oscillations which appear in the transition probability after the crossing). These transition times have been calculated by using the exact values of the transition probabilities and their derivatives at the crossing point and approximations to the time evolutions of the transition probabilities in the diabatic basis, derived earlier \\protect{[}N. V. Vitanov and B. M. Garraway, Phys. Rev. A {\\bf 53}, 4288 (1996)\\protect{]}, and similar results in the adiabatic basis, derived in the present paper.

  14. LANGEVIN DYNAMICS OF THE TWO STAGE MELTING TRANSITION OF VORTEX MATTER IN Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} IN THE PRESENCE OF STRAIGHT AND OF TILTED COLUMNAR DEFECTS

    Energy Technology Data Exchange (ETDEWEB)

    GOLDSCHMIDT, YADIN Y.; LIU, Jin-Tao

    2007-08-07

    In this paper we use London Langevin molecular dynamics simulations to investigate the vortex matter melting transition in the highly anisotropic high-temperature superconductor material Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} in the presence of low concentration of columnar defects (CDs). We reproduce with further details our previous results obtained by using Multilevel Monte Carlo simulations that showed that the melting of the nanocrystalline vortex matter occurs in two stages: a first stage melting into nanoliquid vortex matter and a second stage delocalization transition into a homogeneous liquid. Furthermore, we report on new dynamical measurements in the presence of a current that identifies clearly the irreversibility line and the second stage delocalization transition. In addition to CDs aligned along the c-axis we also simulate the case of tilted CDs which are aligned at an angle with respect to the applied magnetic field. Results for CDs tilted by 45{degree} with respect to c-axis show that the locations of the melting and delocalization transitions are not affected by the tilt when the ratio of flux lines to CDs remains constant. On the other hand we argue that some dynamical properties and in particular the position of the irreversibility line should be affected.

  15. Thermomechanical response of a semicrystalline polymer in the vicinity of the melting by using microcantilever technology

    Energy Technology Data Exchange (ETDEWEB)

    Soccio, M.; Rueda, D. R.; García-Gutiérrez, M. C.; Ezquerra, T. A., E-mail: t.ezquerra@csic.es [Instituto de Estructura de la Materia, IEM-CSIC, Serrano 121, Madrid (Spain); Luongo, G. [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); Esteves, C.; Salvador-Matar, A.; Ahumada, O. [MECWINS, Calle de Santiago Grisolía, No. 2, 28760 Tres Cantos, Madrid (Spain); Lotti, N.; Munari, A. [Dipartimento di Ingegneria Civile, Chimica, Ambientale e dei Materiali, Universitá di Bologna, Via Terracini 28, Bologna 40131 (Italy)

    2014-06-23

    The melting transition of a model semicrystalline polymer has been detected by the microcantilever deflection as a function of temperature. Deflection measurements were done on arrays of 8-cantilevers spin coated with the semicrystalline polymer: poly (propylene azelate). The melting of the polymer has been corroborated by grazing incidence wide angle x-ray scattering experiments performed with synchrotron radiation over a single cantilever.

  16. Superheating and melting within aluminum core-oxide shell nanoparticles for a broad range of heating rates: multiphysics phase field modeling.

    Science.gov (United States)

    Hwang, Yong Seok; Levitas, Valery I

    2016-10-19

    The external surface of metallic particles is usually covered by a thin and strong oxide shell, which significantly affects superheating and melting of particles. The effects of geometric parameters and heating rate on characteristic melting and superheating temperatures and melting behavior of aluminum nanoparticles covered by an oxide shell were studied numerically. For this purpose, the multiphysics model that includes the phase field model for surface melting, a dynamic equation of motion, a mechanical model for stress and strain simulations, interface and surface stresses, and the thermal conduction model including thermoelastic and thermo-phase transformation coupling as well as transformation dissipation rate was formulated. Several nontrivial phenomena were revealed. In comparison with a bare particle, the pressure generated in a core due to different thermal expansions of the core and shell and transformation volumetric expansion during melting, increases melting temperatures with the Clausius-Clapeyron factor of 60 K GPa(-1). For the heating rates Q ≤ 10(9) K s(-1), melting temperatures (surface and bulk start and finish melting temperatures, and maximum superheating temperature) are independent of Q. For Q ≥ 10(12) K s(-1), increasing Q generally increases melting temperatures and temperature for the shell fracture. Unconventional effects start for Q ≥ 10(12) K s(-1) due to kinetic superheating combined with heterogeneous melting and geometry. The obtained results are applied to shed light on the initial stage of the melt-dispersion-mechanism of the reaction of Al nanoparticles. Various physical phenomena that promote or suppress melting and affect melting temperatures and temperature of the shell fracture for different heating-rate ranges are summarized in the corresponding schemes.

  17. Two kinds of Phase transitions in a Voting model

    CERN Document Server

    Hisakado, Masato

    2012-01-01

    In this paper, we discuss a voting model with two candidates, C_1 and C_2. We consider two types of voters--herders and independents. The voting of independents is based on their fundamental values; on the other hand, the voting of herders is based on the number of previous votes. We can identify two kinds of phase transitions. One is information cascade transition similar to a phase transition seen in Ising model. The other is a transition of super and normal diffusions. These phase transitions coexist together. We compared our results to the conclusions of experiments and identified the phase transitions in the upper t limit using analysis of human behavior obtained from experiments.

  18. Statistics-based investigation on typhoon transition modeling

    DEFF Research Database (Denmark)

    Zhang, Shuoyun; Nishijima, Kazuyoshi

    and the seasonality are taken into account by developing the models for different spatial grids and seasons separately. An appropriate size of spatial grids is investigated. The statistical characteristics of the random residual terms in the models are also examined. Finally, Monte Carlo simulations are performed......The present study revisits the statistical modeling of typhoon transition. The objective of the study is to provide insights on plausible statistical typhoon transition models based on extensive statistical analysis. First, the correlation structures of the typhoon transition are estimated in terms...

  19. Melt crystallization for refinement of triolein and palmitic acid mixture as a model waste oil for biodiesel fuel production

    Science.gov (United States)

    Fukui, Keisuke; Maeda, Kouji; Kuramochi, Hidetoshi

    2013-06-01

    Melt crystallization using an annular vessel with two circular cylinders was applied to produce high-quality vegetable oil from waste oil. The inner cylinder was cooled at a constant rate and rotated, and the outer cylinder was heated at a constant temperature. The melt was solidified on the inner cylinder surface. The binary system of triolein and palmitic acid was used as the model waste oil. We measured the distribution coefficient of triolein. Suitable operation conditions were proposed to attain a high yield and a high purity of triolein from waste oil. The distribution coefficient correlated well with the theoretical equation derived on the basis of the "local lever rule" at the interface of the crystal layer and melt [1].

  20. Geothermal flux and basal melt rate in the Dome C region inferred from radar reflectivity and heat modelling

    Directory of Open Access Journals (Sweden)

    O. Passalacqua

    2017-09-01

    Full Text Available Basal melt rate is the most important physical quantity to be evaluated when looking for an old-ice drilling site, and it depends to a great extent on the geothermal flux (GF, which is poorly known under the East Antarctic ice sheet. Given that wet bedrock has higher reflectivity than dry bedrock, the wetness of the ice–bed interface can be assessed using radar echoes from the bedrock. But, since basal conditions depend on heat transfer forced by climate but lagged by the thick ice, the basal ice may currently be frozen whereas in the past it was generally melting. For that reason, the risk of bias between present and past conditions has to be evaluated. The objective of this study is to assess which locations in the Dome C area could have been protected from basal melting at any time in the past, which requires evaluating GF. We used an inverse approach to retrieve GF from radar-inferred distribution of wet and dry beds. A 1-D heat model is run over the last 800 ka to constrain the value of GF by assessing a critical ice thickness, i.e. the minimum ice thickness that would allow the present local distribution of basal melting. A regional map of the GF was then inferred over a 80 km  ×  130 km area, with a N–S gradient and with values ranging from 48 to 60 mW m−2. The forward model was then emulated by a polynomial function to compute a time-averaged value of the spatially variable basal melt rate over the region. Three main subregions appear to be free of basal melting, two because of a thin overlying ice and one, north of Dome C, because of a low GF.

  1. Geothermal flux and basal melt rate in the Dome C region inferred from radar reflectivity and heat modelling

    Science.gov (United States)

    Passalacqua, Olivier; Ritz, Catherine; Parrenin, Frédéric; Urbini, Stefano; Frezzotti, Massimo

    2017-09-01

    Basal melt rate is the most important physical quantity to be evaluated when looking for an old-ice drilling site, and it depends to a great extent on the geothermal flux (GF), which is poorly known under the East Antarctic ice sheet. Given that wet bedrock has higher reflectivity than dry bedrock, the wetness of the ice-bed interface can be assessed using radar echoes from the bedrock. But, since basal conditions depend on heat transfer forced by climate but lagged by the thick ice, the basal ice may currently be frozen whereas in the past it was generally melting. For that reason, the risk of bias between present and past conditions has to be evaluated. The objective of this study is to assess which locations in the Dome C area could have been protected from basal melting at any time in the past, which requires evaluating GF. We used an inverse approach to retrieve GF from radar-inferred distribution of wet and dry beds. A 1-D heat model is run over the last 800 ka to constrain the value of GF by assessing a critical ice thickness, i.e. the minimum ice thickness that would allow the present local distribution of basal melting. A regional map of the GF was then inferred over a 80 km × 130 km area, with a N-S gradient and with values ranging from 48 to 60 mW m-2. The forward model was then emulated by a polynomial function to compute a time-averaged value of the spatially variable basal melt rate over the region. Three main subregions appear to be free of basal melting, two because of a thin overlying ice and one, north of Dome C, because of a low GF.

  2. Mott transitions in three-component Falicov-Kimball model

    Science.gov (United States)

    Nguyen, Duong-Bo; Tran, Minh-Tien

    2013-01-01

    Metal-insulator transitions are studied within a three-component Falicov-Kimball model, which mimics a mixture of one-component and two-component fermionic particles with local repulsive interactions in optical lattices. Within the model, the two-component fermionic particles are able to hop in the lattice, while the one-component fermionic particles are localized. The model is studied by using the dynamical mean-field theory with exact diagonalization. Its homogeneous solutions establish Mott transitions for both commensurate and incommensurate fillings between one-third and two-thirds. At commensurate one-third and two-thirds fillings, the Mott transition occurs for any density of hopping particles, while at incommensurate fillings, the Mott transition can occur only for density one-half of hopping particles. At half-filling, depending on the repulsive interactions, the reentrant effect of the Mott insulator is observed. As increasing local interaction of hopping particles, the first insulator-metal transition is continuous, whereas the second metal-insulator transition is discontinuous. The second metal-insulator transition crosses a finite region where both metallic and insulating phase coexist. At third-filling, the Mott transition is established only for strong repulsive interactions. A phase separation occurs together with the phase transition.

  3. Melting and reactive flow of a volatilized mantle beneath mid-ocean ridges: theory and numerical models

    Science.gov (United States)

    Keller, Tobias; Katz, Richard F.

    2015-04-01

    Laboratory experiments indicate that even small concentrations volatiles (H2O or CO2) in the upper mantle significantly affect the silicate melting behavior [HK96,DH06]. The presence of volatiles stabilizes volatile-rich melt at high pressure, thus vastly increasing the volume of the upper mantle expected to be partially molten [H10,DH10]. These small-degree melts have important consequences for chemical differentiation and could affect the dynamics of mantle flow. We have developed theory and numerical implementation to simulate thermo-chemically coupled magma/mantle dynamics in terms of a two-phase (rock+melt), three component (dunite+MORB+volatilized MORB) physical model. The fluid dynamics is based on McKenzie's equations [McK84], while the thermo-chemical formulation of the system is represented by a novel disequilibrium multi-component melting model based on thermo-dynamic theory [RBS11]. This physical model is implemented as a parallel, two-dimensional, finite-volume code that leverages tools from the PETSc toolkit. Application of this simulation code to a mid-ocean ridge system suggests that the methodology captures the leading-order features of both hydrated and carbonated mantle melting, including deep, low-degree, volatile-rich melt formation. Melt segregation leads to continuous dynamic thermo-chemical dis-equilibration, while phenomenological reaction rates are applied to continually move the system towards re-equilibration. The simulations will be used first to characterize volatile extraction from the MOR system assuming a chemically homogeneous mantle. Subsequently, simulations will be extended to investigate the consequences of heterogeneity in lithology [KW12] and volatile content. These studies will advance our understanding of the role of volatiles in the dynamic and chemical evolution of the upper mantle. Moreover, they will help to gauge the significance of the coupling between the deep carbon cycle and the ocean/atmosphere system. REFERENCES

  4. Linking Complexity and Sustainability Theories: Implications for Modeling Sustainability Transitions

    Directory of Open Access Journals (Sweden)

    Camaren Peter

    2014-03-01

    Full Text Available In this paper, we deploy a complexity theory as the foundation for integration of different theoretical approaches to sustainability and develop a rationale for a complexity-based framework for modeling transitions to sustainability. We propose a framework based on a comparison of complex systems’ properties that characterize the different theories that deal with transitions to sustainability. We argue that adopting a complexity theory based approach for modeling transitions requires going beyond deterministic frameworks; by adopting a probabilistic, integrative, inclusive and adaptive approach that can support transitions. We also illustrate how this complexity-based modeling framework can be implemented; i.e., how it can be used to select modeling techniques that address particular properties of complex systems that we need to understand in order to model transitions to sustainability. In doing so, we establish a complexity-based approach towards modeling sustainability transitions that caters for the broad range of complex systems’ properties that are required to model transitions to sustainability.

  5. Force induced DNA melting

    Energy Technology Data Exchange (ETDEWEB)

    Santosh, Mogurampelly; Maiti, Prabal K [Center for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore-12 (India)], E-mail: santosh@physics.iisc.ernet.in, E-mail: maiti@physics.iisc.ernet.in

    2009-01-21

    When pulled along the axis, double-strand DNA undergoes a large conformational change and elongates by roughly twice its initial contour length at a pulling force of about 70 pN. The transition to this highly overstretched form of DNA is very cooperative. Applying a force perpendicular to the DNA axis (unzipping), double-strand DNA can also be separated into two single-stranded DNA, this being a fundamental process in DNA replication. We study the DNA overstretching and unzipping transition using fully atomistic molecular dynamics (MD) simulations and argue that the conformational changes of double-strand DNA associated with either of the above mentioned processes can be viewed as force induced DNA melting. As the force at one end of the DNA is increased the DNA starts melting abruptly/smoothly above a critical force depending on the pulling direction. The critical force f{sub m}, at which DNA melts completely decreases as the temperature of the system is increased. The melting force in the case of unzipping is smaller compared to the melting force when the DNA is pulled along the helical axis. In the case of melting through unzipping, the double-strand separation has jumps which correspond to the different energy minima arising due to sequence of different base pairs. The fraction of Watson-Crick base pair hydrogen bond breaking as a function of force does not show smooth and continuous behavior and consists of plateaus followed by sharp jumps.

  6. Coordinated Hard Sphere Mixture (CHaSM): A fast approximate model for oxide and silicate melts at extreme conditions

    Science.gov (United States)

    Wolf, A. S.; Asimow, P. D.; Stevenson, D. J.

    2015-12-01

    Recent first-principles calculations (e.g. Stixrude, 2009; de Koker, 2013), shock-wave experiments (Mosenfelder, 2009), and diamond-anvil cell investigations (Sanloup, 2013) indicate that silicate melts undergo complex structural evolution at high pressure. The observed increase in cation-coordination (e.g. Karki, 2006; 2007) induces higher compressibilities and lower adiabatic thermal gradients in melts as compared with their solid counterparts. These properties are crucial for understanding the evolution of impact-generated magma oceans, which are dominated by the poorly understood behavior of silicates at mantle pressures and temperatures (e.g. Stixrude et al. 2009). Probing these conditions is difficult for both theory and experiment, especially given the large compositional space (MgO-SiO2-FeO-Al2O3-etc). We develop a new model to understand and predict the behavior of oxide and silicate melts at extreme P-T conditions (Wolf et al., 2015). The Coordinated Hard Sphere Mixture (CHaSM) extends the Hard Sphere mixture model, accounting for the range of coordination states for each cation in the liquid. Using approximate analytic expressions for the hard sphere model, this fast statistical method compliments classical and first-principles methods, providing accurate thermodynamic and structural property predictions for melts. This framework is applied to the MgO system, where model parameters are trained on a collection of crystal polymorphs, producing realistic predictions of coordination evolution and the equation of state of MgO melt over a wide P-T range. Typical Mg-coordination numbers are predicted to evolve continuously from 5.25 (0 GPa) to 8.5 (250 GPa), comparing favorably with first-principles Molecular Dynamics (MD) simulations. We begin extending the model to a simplified mantle chemistry using empirical potentials (generally accurate over moderate pressure ranges, compression.

  7. The Depinning Transition in Presence of Disorder: A Toy Model

    Science.gov (United States)

    Derrida, Bernard; Retaux, Martin

    2014-07-01

    We introduce a toy model, which represents a simplified version of the problem of the depinning transition in the limit of strong disorder. This toy model can be formulated as a simple renormalization transformation for the probability distribution of a single real variable. For this toy model, the critical line is known exactly in one particular case and it can be calculated perturbatively in the general case. One can also show that, at the transition, there is no fixed distribution accessible by renormalization which corresponds to a disordered fixed point. Instead, both our numerical and analytic approaches indicate a transition of infinite order (of the Berezinskii-Kosterlitz-Thouless type). We give numerical evidence that this infinite order transition persists for the problem of the depinning transition with disorder on the hierarchical lattice.

  8. Modeling of ocean-induced ice melt rates of five west Greenland glaciers over the past two decades

    Science.gov (United States)

    Rignot, E.; Xu, Y.; Menemenlis, D.; Mouginot, J.; Scheuchl, B.; Li, X.; Morlighem, M.; Seroussi, H.; den Broeke, M. van; Fenty, I.; Cai, C.; An, L.; Fleurian, B. de

    2016-06-01

    High-resolution, three-dimensional simulations from the Massachusetts Institute of Technology general circulation model ocean model are used to calculate the subaqueous melt rate of the calving faces of Umiamako, Rinks, Kangerdlugssup, Store, and Kangilerngata glaciers, west Greenland, from 1992 to 2015. Model forcing is from monthly reconstructions of ocean state and ice sheet runoff. Results are analyzed in combination with observations of bathymetry, bed elevation, ice front retreat, and glacier speed. We calculate that subaqueous melt rates are 2-3 times larger in summer compared to winter and doubled in magnitude since the 1990s due to enhanced subglacial runoff and 1.6 ± 0.3°C warmer ocean temperature. Umiamako and Kangilerngata retreated rapidly in the 2000s when subaqueous melt rates exceeded the calving rates and ice front retreated to deeper bed elevation. In contrast, Store, Kangerdlugssup, and Rinks have remained stable because their subaqueous melt rates are 3-4 times lower than their calving rates, i.e., the glaciers are dominated by calving processes.

  9. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...

  10. Model for continuous thermal metal to insulator transition

    Science.gov (United States)

    Jian, Chao-Ming; Bi, Zhen; Xu, Cenke

    2017-09-01

    We propose a d -dimensional interacting Majorana fermion model with quenched disorder, which gives us a continuous quantum phase transition between a diffusive thermal metal phase with a finite entropy density to an insulator phase with zero entropy density. This model is based on coupled Sachdev-Ye-Kitaev model clusters, and hence has a controlled large-N limit. The metal-insulator transition is accompanied by a spontaneous time-reversal symmetry breaking. We perform controlled calculations to show that the energy diffusion constant jumps to zero discontinuously at the metal-insulator transition, while the time-reversal symmetry-breaking order parameter increases continuously.

  11. Liquid-Liquid Phase Transition and Glass Transition in a Monoatomic Model System

    Directory of Open Access Journals (Sweden)

    Nicolas Giovambattista

    2010-12-01

    Full Text Available We review our recent study on the polyamorphism of the liquid and glass states in a monatomic system, a two-scale spherical-symmetric Jagla model with both attractive and repulsive interactions. This potential with a parametrization for which crystallization can be avoided and both the glass transition and the liquid-liquid phase transition are clearly separated, displays water-like anomalies as well as polyamorphism in both liquid and glassy states, providing a unique opportunity to study the interplay between the liquid-liquid phase transition and the glass transition. Our study on a simple model may be useful in understanding recent studies of polyamorphism in metallic glasses.

  12. Strength analysis and modeling of cellular lattice structures manufactured using selective laser melting for tooling applications

    DEFF Research Database (Denmark)

    Mahshid, Rasoul; Hansen, Hans Nørgaard; Loft Højbjerre, Klaus

    2016-01-01

    Additive manufacturing is rapidly developing and gaining popularity for direct metal fabrication systems like selective laser melting (SLM). The technology has shown significant improvement for high-quality fabrication of lightweight design-efficient structures such as conformal cooling channels...

  13. Development and validation of a new LBM-MRT hybrid model with enthalpy formulation for melting with natural convection

    Science.gov (United States)

    Miranda Fuentes, Johann; Kuznik, Frédéric; Johannes, Kévyn; Virgone, Joseph

    2014-01-01

    This article presents a new model to simulate melting with natural convection of a phase change material. For the phase change problem, the enthalpy formulation is used. Energy equation is solved by a finite difference method, whereas the fluid flow is solved by the multiple relaxation time (MRT) lattice Boltzmann method. The model is first verified and validated using the data from the literature. Then, the model is applied to a tall brick filled with a fatty acid eutectic mixture and the results are presented. The main results are (1) the spatial convergence rate is of second order, (2) the new model is validated against data from the literature and (3) the natural convection plays an important role in the melting process of the fatty acid mixture considered in our work.

  14. Experience of Macroeconomic Models Realization in Transition Economy

    Directory of Open Access Journals (Sweden)

    Elvira Naval

    2005-01-01

    Full Text Available This article represents an issue about macroeconomic model realization under transition economy of Moldova Republic. Different macroeconomic model beginning with simple monetary model and growth model, and more complicated model as financial programming models, general equilibrium model, describing complex functioning of national economy and forecasting effect of various economic policies on economy development were considered. Some comparative analysis and conclusions were presented.

  15. Transition from ultra-enriched to ultra-depleted primary MORB melts in a single volcanic suite (Macquarie Island, SW Pacific): Implications for mantle source, melting process and plumbing system

    Science.gov (United States)

    Husen, Anika; Kamenetsky, Vadim S.; Everard, John L.; Kamenetsky, Maya B.

    2016-07-01

    Compositional diversity of basalts forming the oceanic floor is attributed to a variety of factors such as mantle heterogeneities, melting conditions, mixing of individual melt batches, as well as fractionation and assimilation processes during magma ascent and emplacement. In this study the compositional range and origin of mid-ocean ridge basalts (MORB) is approached by petrological, mineralogical and geochemical studies of the Miocene Macquarie Island ophiolite, an uplifted part of the Macquarie Ridge at the boundary between the Australian and Pacific plates. In this study, earlier results on the enriched to ultra-enriched (La/Sm 1.4-7.9), isotopically homogeneous basaltic glasses are complemented by the compositions of olivine-phyric rocks, principal phenocrystic minerals and Cr-spinel hosted melt inclusions. Studied olivine, clinopyroxene and Cr-spinel phenocrysts are among the most primitive known for MORB (85-91 mol% forsterite in olivine, 81-91 Mg# in clinopyroxene, and 66-77 Mg# and 34-60 Cr# in spinel) and represent primary and near-primary compositions of their parental melts. Geochemical characteristics of the liquids parental to clinopyroxene (La/Sm 0.8-6.3) and Cr-spinel (La/Sm 0.4-5) partly overlap with those of the basaltic glasses, but also strongly advocate the role of depleted to ultra-depleted primary melts in the origin of the Macquarie Island porphyritic rocks. The trace element composition of olivine phenocrysts and the systematics of rare-earth elements in glasses, melt inclusions, and clinopyroxene provide evidence for a peridotitic composition of the source mantle. Our data supports the mechanism of fractional "dynamic" melting of a single mantle peridotite producing individual partial melt batches with continuously changing compositions from ultra-enriched towards ultra-depleted. The incipient enriched melt batches, represented by basaltic glasses in this study, may erupt without significant modification, whereas consecutively derived

  16. GEOMETRIC COMPLEXITY ANALYSIS IN AN INTEGRATIVE TECHNOLOGY EVALUATION MODEL (ITEM FOR SELECTIVE LASER MELTING (SLM#

    Directory of Open Access Journals (Sweden)

    S. Merkt

    2012-01-01

    Full Text Available

    ENGLISH ABSTRACT: Selective laser melting (SLM is becoming an economically viable choice for manufacturing complex serial parts. This paper focuses on a geometric complexity analysis as part of the integrative technology evaluation model (ITEM presented here. In contrast to conventional evaluation methodologies, the ITEM considers interactions between product and process innovations generated by SLM. The evaluation of manufacturing processes that compete with SLM is the main goal of ITEM. The paper includes a complexity analysis of a test part from Festo AG. The paper closes with a discussion of how the expanded design freedom of SLM can be used to improve company operations, and how the complexity analysis presented here can be seen as a starting point for feature-based complexity analysis..

    AFRIKAANSE OPSOMMING: Selektiewe lasersmelting word geleidelik ’n gangbare ekonomiese keuse vir die vervaar-diging van opeenvolgende komplekse onderdele. Die navorsing is toegespits op die ontleding van meetkundige kompleksiteit as ’n gedeelte van ’n integrerende tegnologiese evalueringsmodel. Gemeet teen konvensionele evalueringsmodelle behandel die genoemde metode interaksies tussen produkte- en prosesinnovasies wat gegenereer word. Die navorsing behandel ’n kompleksiteitsontleding van ’n toetsonderdeel van die firma FESTO AG. Die resultaat toon hoe kompleksiteits-analise gebruik kan word as die vertrekpunt vir eienskapsgebaseerde analise.

  17. Investigation of the Melting Point Depression of 12-Hydroxystearic Acid Organogels Using the Flory Diluent Model

    Science.gov (United States)

    Cavicchi, Kevin; Lipowski, Brian

    2013-03-01

    This talk will focus on the gelation behavior of 12-hydroxystearic acid (12-HSA) in organic solvents. Thermo-reversible gelation occurs by crystallization of 12-HSA in organic solvent to form 3-D fibrillar networks. The melting point vs. composition for 12-HSA in a range of solvents has been measured. The liquidus lines could be fit with the Flory-diluent model that takes into account the non-ideal free energy of mixing and the disparity in the size of the solvent and 12-HSA molecules. The fits indicated that the effective molar volume of 12-HSA increased as the hydrogen bonding Hansen solubility parameter δh of the solvent decreased. This is attributed to the hydrogen-bonding driven aggregation of the 12-HSA in the liquid state based on previous observations that 12-HSA forms aggregated structures in non-polar solvents (e.g. dimers and tetrameters). These results indicate that the stabilization of the solid phase in 12-HSA solutions has contributions from both variations in the entropy of mixing as well the enthalpy of mixing. The importance of both these factors for designing small molecule gelators will be discussed.

  18. PYTRANSIT: fast and easy exoplanet transit modelling in PYTHON

    Science.gov (United States)

    Parviainen, Hannu

    2015-07-01

    We present a fast and user friendly exoplanet transit light-curve modelling package PYTRANSIT, implementing optimized versions of the Giménez and Mandel & Agol transit models. The package offers an object-oriented PYTHON interface to access the two models implemented natively in FORTRAN with OpenMP parallelization. A partial OpenCL version of the quadratic Mandel-Agol model is also included for GPU-accelerated computations. The aim of PYTRANSIT is to facilitate the analysis of photometric time series of exoplanet transits consisting of hundreds of thousands of data points, and of multipassband transit light curves from spectrophotometric observations, as a part of a researcher's programming toolkit for building complex, problem-specific analyses.

  19. Integrability and Quantum Phase Transitions in Interacting Boson Models

    CERN Document Server

    Dukelsky, J; García-Ramos, J E; Pittel, S

    2003-01-01

    The exact solution of the boson pairing hamiltonian given by Richardson in the sixties is used to study the phenomena of level crossings and quantum phase transitions in the integrable regions of the sd and sdg interacting boson models.

  20. A thermodynamical model for the surface tension of silicate melts in contact with H2O gas

    Science.gov (United States)

    Colucci, Simone; Battaglia, Maurizio; Trigila, Raffaello

    2016-01-01

    Surface tension plays an important role in the nucleation of H2O gas bubbles in magmatic melts and in the time-dependent rheology of bubble-bearing magmas. Despite several experimental studies, a physics based model of the surface tension of magmatic melts in contact with H2O is lacking. This paper employs gradient theory to develop a thermodynamical model of equilibrium surface tension of silicate melts in contact with H2O gas at low to moderate pressures. In the last decades, this approach has been successfully applied in studies of industrial mixtures but never to magmatic systems. We calibrate and verify the model against literature experimental data, obtained by the pendant drop method, and by inverting bubble nucleation experiments using the Classical Nucleation Theory (CNT). Our model reproduces the systematic decrease in surface tension with increased H2O pressure observed in the experiments. On the other hand, the effect of temperature is confirmed by the experiments only at high pressure. At atmospheric pressure, the model shows a decrease of surface tension with temperature. This is in contrast with a number of experimental observations and could be related to microstructural effects that cannot be reproduced by our model. Finally, our analysis indicates that the surface tension measured inverting the CNT may be lower than the value measured by the pendant drop method, most likely because of changes in surface tension controlled by the supersaturation.

  1. Improved Testing and Specifivations of Smooth Transition Regression Models

    OpenAIRE

    Escribano, Álvaro; Jordá, Óscar

    1997-01-01

    This paper extends previous work in Escribano and Jordá (1997)and introduces new LM specification procedures to choose between Logistic and Exponential Smooth Transition Regression (STR)Models. These procedures are simpler, consistent and more powerful than those previously available in the literature. An analysis of the properties of Taylor approximations around the transition function of STR models permits one to understand why these procedures work better and it suggests ways to improve te...

  2. Corner wetting transition in the two-dimensional Ising model

    Science.gov (United States)

    Lipowski, Adam

    1998-07-01

    We study the interfacial behavior of the two-dimensional Ising model at the corner of weakened bonds. Monte Carlo simulations results show that the interface is pinned to the corner at a lower temperature than a certain temperature Tcw at which it undergoes a corner wetting transition. The temperature Tcw is substantially lower than the temperature of the ordinary wetting transition with a line of weakened bonds. A solid-on-solid-like model is proposed, which provides a supplementary description of the corner wetting transition.

  3. Dynamo transition in a five-mode helical model

    Science.gov (United States)

    Kumar, Rohit; Wahi, Pankaj

    2017-09-01

    We construct a five-mode helical dynamo model containing three velocity and two magnetic modes and solve it analytically. This model exhibits dynamo transition via supercritical pitchfork bifurcation. We show that the critical magnetic Reynolds number for dynamo transition (Rmc) asymptotes to constant values for very low and very high magnetic Prandtl numbers (Pm). Beyond dynamo transition, secondary bifurcations lead to periodic, quasi-periodic, and chaotic dynamo states as the forcing amplitude is increased and chaos appears through a quasi-periodic route.

  4. On the Chiral Phase Transition in the Linear Sigma Model

    CERN Document Server

    Phat, T H; Hoa, L V; Phat, Tran Huu; Anh, Nguyen Tuan; Hoa, Le Viet

    2004-01-01

    The Cornwall-Jackiw-Tomboulis (CJT) effective action for composite operators at finite temperature is used to investigate the chiral phase transition within the framework of the linear sigma model as the low-energy effective model of quantum chromodynamics (QCD). A new renormalization prescription for the CJT effective action in the Hartree-Fock (HF) approximation is proposed. A numerical study, which incorporates both thermal and quantum effect, shows that in this approximation the phase transition is of first order. However, taking into account the higher-loop diagrams contribution the order of phase transition is unchanged.

  5. NUMERICAL MODELLING OF VELOCITY AND TEMPERATURE DISTRIBUTIONS OF THE BUOYANCY CONVECTION EFFECT IN KNbO3 MELT

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    @@ Numerical modelling of velocity and temperature fields in high-temperature KNbO3 melt of a loop-shaped Pt wire heater is carried out by using the commercial com putational code ANSYS for the mathematical solution of the governing equations.Based on the experimental boundary conditions and the Boussinesq approximation,the numerical modelling of a steady and two-dimensional model is applied to study the process under consideration of the buoyancy-driven convection condition. The result is compared with the previous experimental and theoretical data obtained in our laboratory, and the former is in agreement with the latter. Thus a theoretical guide for reasonable growth conditions is provided by studying in depth the real fluid flow effects in the crystal growth from the melt.

  6. Computer simulations of laser-induced melting of aluminum

    Science.gov (United States)

    Tang, Hong; Bai, Mingze; Dou, Yusheng; Ran, Qi; Lo, Glenn V.

    2013-04-01

    Laser-induced solid-to-liquid phase transitions in 100 nm aluminum film were simulated using a hybrid model that combines molecular dynamics (MD) with a continuum description of the laser excitation and a two-temperature method (TTM) to model the relaxation of conduction band electrons. When the laser fluence provides more energy than needed for a complete melting of the film, the phase transition is characterized by an ultrafast collapse of the crystal structure within 2-3 ps. Otherwise, the transition involves a homogeneous nucleation and growth of liquid zones inside the crystal and a heterogeneous propagation of transition fronts from the external surfaces or nucleated liquid zones.

  7. Workforce Transition Modeling Environment user`s guide

    Energy Technology Data Exchange (ETDEWEB)

    Stahlman, E.J.; Oens, M.A.; Lewis, R.E.

    1993-10-01

    The Pacific Northwest Laboratory (PNL) was tasked by the US Department of Energy Albuquerque Field Office (DOE-AL) to develop a workforce assessment and transition planning tool to support integrated decision making at a single DOE installation. The planning tool permits coordinated, integrated workforce planning to manage growth, decline, or transition within a DOE installation. The tool enhances the links and provides commonality between strategic, programmatic, and operations planners and human resources. Successful development and subsequent complex-wide implementation of the model also will facilitate planning at the national level by enforcing a consistent format on data that are now collected by installations in corporate-specific formats that are not amenable to national-level analyses. The workforce assessment and transition planning tool, the Workforce Transition Modeling Environment (WFTME), consists of two components: the Workforce Transition Model and the Workforce Budget Constraint Model. The Workforce Transition Model, the preponderant of the two, assists decision makers identify and evaluate alternatives for transitioning the current workforce to meet the skills required to support projected workforce requirements. The Workforce Budget Constraint Model helps estimate the number of personnel that will be affected by a given workforce budget increase or decrease and assists in identifying how the corresponding hirings or layoffs should be distributed across the Common Occupation Classification System (COCS) occupations. This user`s guide describes the use and operation of the WFTME. This includes the functions of modifying data and running models, interpreting output reports, and an approach for using the WFTME to evaluate various workforce transition scenarios.

  8. Coordinated Hard Sphere Mixture (CHaSM): A simplified model for oxide and silicate melts at mantle pressures and temperatures

    Science.gov (United States)

    Wolf, Aaron S.; Asimow, Paul D.; Stevenson, David J.

    2015-08-01

    We develop a new model to understand and predict the behavior of oxide and silicate melts at extreme temperatures and pressures, including deep mantle conditions like those in the early Earth magma ocean. The Coordinated Hard Sphere Mixture (CHaSM) is based on an extension of the hard sphere mixture model, accounting for the range of coordination states available to each cation in the liquid. By utilizing approximate analytic expressions for the hard sphere model, this method is capable of predicting complex liquid structure and thermodynamics while remaining computationally efficient, requiring only minutes of calculation time on standard desktop computers. This modeling framework is applied to the MgO system, where model parameters are trained on a collection of crystal polymorphs, producing realistic predictions of coordination evolution and the equation of state of MgO melt over a wide range of pressures and temperatures. We find that the typical coordination number of the Mg cation evolves continuously upward from 5.25 at 0 GPa to 8.5 at 250 GPa. The results produced by CHaSM are evaluated by comparison with predictions from published first-principles molecular dynamics calculations, indicating that CHaSM is accurately capturing the dominant physics controlling the behavior of oxide melts at high pressure. Finally, we present a simple quantitative model to explain the universality of the increasing Grüneisen parameter trend for liquids, which directly reflects their progressive evolution toward more compact solid-like structures upon compression. This general behavior is opposite that of solid materials, and produces steep adiabatic thermal profiles for silicate melts, thus playing a crucial role in magma ocean evolution.

  9. Geochemical models of melting and magma storage conditions for basalt lava from Santorini Volcano, Greece

    Science.gov (United States)

    Baziotis, Ioannis; Kimura, Jun-Ichi; Pantazidis, Avgoustinos; Klemme, Stephan; Berndt, Jasper; Asimow, Paul

    2017-04-01

    & Ariskin 2014) back-calculator, inferred crystallization conditions are P=0.02 GPa, oxidized (fO2=QFM+2), and ˜1 wt% H2O in the primary basalt. The source mantle conditions are estimated at P=2.1 GPa, T=1350˚ C, and degree of melting F=8%. We also used trace elements to estimate the incompatible element budget of the primary basalt using the forward trace-element mass-balance model of ARC BASALT SIMULATOR ver.4 (Kimura et al. 2014). Preliminary results suggest that the slab flux was derived from ˜150 km depth, and fluxed mantle melting occurred at P=2.3 GPa, T=1380˚ C, F=8%. The estimated slab depth is consistent with the seismic observations and mantle conditions are consistent with the PRIMACALC2 major element modelling. Our intent is to extend our analytical data with precise trace element and isotope analyses in order to reveal more detailed source conditions and richer information about processes from the slab through the mantle and up to the shallow magma chamber. References Andújar, J. et al. (2015). JPET, 56 (4), 765-794. Druitt, et al. (1999). Geological Society Memoir, 19. Huijsmans, J. P., & Barton, M. (1989). JPET, 30(3), 583-625. Kimura, J. I., & Ariskin, A. A. (2014). G3, 15, 1494-1514. Kimura, J. I. et al. (2014). G3, 15, 691-739. Mortazavi, M., & Sparks, R. S. J. (2004). Con Min Pet, 146(4), 397-413. Papazachos, et al. (2000). Tectonophysics, 319(4), 275-300.

  10. Integrated simulation of snow and glacier melt in water and energy balance‐based, distributed hydrological modeling framework at Hunza River Basin of Pakistan Karakoram region

    National Research Council Canada - National Science Library

    Shrestha, Maheswor; Koike, Toshio; Hirabayashi, Yukiko; Xue, Yongkang; Wang, Lei; Rasul, Ghulam; Ahmad, Bashir

    2015-01-01

    Energy budget‐based distributed modeling of snow and glacier melt runoff is essential in a hydrologic model to accurately describe hydrologic processes in cold regions and high‐altitude catchments...

  11. Intra-cratonic melting as a result of delamination of mantle lithosphere - insight from numerical modelling

    Science.gov (United States)

    Gorczyk, W.; Vogt, K.; Gerya, T.; Hobbs, B. E.

    2012-12-01

    It is becoming increasingly apparent that intense deformation, metamorphism and metasomatism occur within continental cratonic blocks far removed form subducting margins Such changes may occur intra-cratonically arising from lithospheric thickening and the development of gravitational instabilities, but mostly occur at the boundary of cratonic blocks. The contact of two cratons is characterized by rheological lateral variations within mantle-lithosphere and overlying crust. Tectonic stresses acting on craton/craton boundaries may lead to thinning or thickening due to delamination of the mantle lithosphere. This is reflected in tectonic deformation, topography evolution, melting and crustal metamorphism. To understand the controls on these processes a number of 2D, coupled petrological thermo-mechanical numerical experiments has been performed to test the response of a laterally weakened zone to a compressional regime. The results indicate that the presence of water-bearing minerals in the lithosphere and lower crust is essential to initiate melting, which in the later stages may expand to dry melting of crust and mantle. In the case of anhydrous crust and lithosphere, no melting occurs. Thus a variety of instabilities, melting behaviour and topographic responses occurs at the base of the lithosphere as well as intensive faulting and buckling in the crust dependent on the strength and "water" content of the lithosphere.

  12. Phase transitions in simplified models with long-range interactions

    Science.gov (United States)

    Rocha Filho, T. M.; Amato, M. A.; Mello, B. A.; Figueiredo, A.

    2011-10-01

    We study the origin of phase transitions in several simplified models with long-range interactions. For the self-gravitating ring model, we are unable to observe a possible phase transition predicted by Nardini and Casetti [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.80.060103 80, 060103R (2009).] from an energy landscape analysis. Instead we observe a sharp, although without any nonanalyticity, change from a core-halo to a core-only configuration in the spatial distribution functions for low energies. By introducing a different class of solvable simplified models without any critical points in the potential energy we show that a behavior similar to the thermodynamics of the ring model is obtained, with a first-order phase transition from an almost homogeneous high-energy phase to a clustered phase and the same core-halo to core configuration transition at lower energies. We discuss the origin of these features for the simplified models and show that the first-order phase transition comes from the maximization of the entropy of the system as a function of energy and an order parameter, as previously discussed by Hahn and Kastner [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.72.056134 72, 056134 (2005); Eur. Phys. J. BEPJBFY1434-602810.1140/epjb/e2006-00100-7 50, 311 (2006)], which seems to be the main mechanism causing phase transitions in long-range interacting systems.

  13. Melt analysis of mismatch amplification mutation assays (Melt-MAMA: a functional study of a cost-effective SNP genotyping assay in bacterial models.

    Directory of Open Access Journals (Sweden)

    Dawn N Birdsell

    Full Text Available Single nucleotide polymorphisms (SNPs are abundant in genomes of all species and biologically informative markers extensively used across broad scientific disciplines. Newly identified SNP markers are publicly available at an ever-increasing rate due to advancements in sequencing technologies. Efficient, cost-effective SNP genotyping methods to screen sample populations are in great demand in well-equipped laboratories, but also in developing world situations. Dual Probe TaqMan assays are robust but can be cost-prohibitive and require specialized equipment. The Mismatch Amplification Mutation Assay, coupled with melt analysis (Melt-MAMA, is flexible, efficient and cost-effective. However, Melt-MAMA traditionally suffers from high rates of assay design failures and knowledge gaps on assay robustness and sensitivity. In this study, we identified strategies that improved the success of Melt-MAMA. We examined the performance of 185 Melt-MAMAs across eight different pathogens using various optimization parameters. We evaluated the effects of genome size and %GC content on assay development. When used collectively, specific strategies markedly improved the rate of successful assays at the first design attempt from ~50% to ~80%. We observed that Melt-MAMA accurately genotypes across a broad DNA range (~100 ng to ~0.1 pg. Genomic size and %GC content influence the rate of successful assay design in an independent manner. Finally, we demonstrated the versatility of these assays by the creation of a duplex Melt-MAMA real-time PCR (two SNPs and conversion to a size-based genotyping system, which uses agarose gel electrophoresis. Melt-MAMA is comparable to Dual Probe TaqMan assays in terms of design success rate and accuracy. Although sensitivity is less robust than Dual Probe TaqMan assays, Melt-MAMA is superior in terms of cost-effectiveness, speed of development and versatility. We detail the parameters most important for the successful application of

  14. SMOOTH TRANSITION LOGISTIC REGRESSION MODEL TREE

    OpenAIRE

    RODRIGO PINTO MOREIRA

    2008-01-01

    Este trabalho tem como objetivo principal adaptar o modelo STR-Tree, o qual é a combinação de um modelo Smooth Transition Regression com Classification and Regression Tree (CART), a fim de utilizá-lo em Classificação. Para isto algumas alterações foram realizadas em sua forma estrutural e na estimação. Devido ao fato de estarmos fazendo classificação de variáveis dependentes binárias, se faz necessária a utilização das técnicas empregadas em Regressão Logística, dessa forma a estimação dos pa...

  15. Numerical modeling of transferred arc melting bath heating; Modelisation numerique du chauffage de bains par arc transfere

    Energy Technology Data Exchange (ETDEWEB)

    Bouvier, A. [Electricite de France, 77 - Moret sur Loing (France). Direction des Etudes et Recherches; Trenty, L.; Guillot, J.B. [Ecole Centrale de Paris, Laboratoire EM2C. CNRS, 92 - Chatenay-Malabry (France); Delalondre, C. [Electricite de France (EDF), 78 - Chatou (France). Direction des Etudes et Recherches

    1997-12-31

    This paper presents the modeling of a transferred electric arc inside a bath of melted metal. After a recall of the context of the study, the problem of the modeling, which involves magnetohydrodynamic coupling inside the arc and the bath, is described. The equations that govern the phenomena inside the arc and the bath are recalled and the approach used for the modeling of the anode region of the arc is explained using a 1-D sub-model. The conditions of connection between arc and bath calculations are explained and calculation results obtained with a 200 kW laboratory furnace geometry are presented. (J.S.) 8 refs.

  16. Full-Stokes modeling of grounding line dynamics, ice melt and iceberg calving for Thwaites Glacier, West Antarctica

    OpenAIRE

    Yu, Hongju; Rignot, Eric; Morlighem, Mathieu; Seroussi, Helene

    2016-01-01

    Thwaites Glacier (TG), West Antarctica, has been losing mass and retreating rapidly in the past three decades. Here we present a two-dimensional, Full-Stokes (FS) modeling study of the grounding line dynamics and iceberg calving of TG. First, we compare FS with two simplified models, the higher-order (HO) model and the shallow-shelf approximation (SSA) model, to determine the impact of changes in ice shelf basal melt rate on grounding line dynamics. Second, we combine FS with the Linear Elast...

  17. GLASS MELTING PHENOMENA, THEIR ORDERING AND MELTING SPACE UTILISATION

    Directory of Open Access Journals (Sweden)

    Němec L.

    2013-12-01

    Full Text Available Four aspects of effective glass melting have been defined – namely the fast kinetics of partial melting phenomena, a consideration of the melting phenomena ordering, high utilisation of the melting space, and effective utilisation of the supplied energy. The relations were defined for the specific melting performance and specific energy consumption of the glass melting process which involve the four mentioned aspects of the process and indicate the potentials of effective melting. The quantity “space utilisation” has been treated in more detail as an aspect not considered in practice till this time. The space utilisation was quantitatively defined and its values have been determined for the industrial melting facility by mathematical modelling. The definitions of the specific melting performance and specific energy consumption have been used for assessment of the potential impact of a controlled melt flow and high space utilisation on the melting process efficiency on the industrial scale. The results have shown that even the partial control of the melt flow, leading to the partial increase of the space utilisation, may considerably increase the melting performance, whereas a decrease of the specific energy consumption was determined to be between 10 - 15 %.

  18. Magnetic nature of the austenite-martensite phase transition and spin glass behaviour in nanostructured Mn2Ni1.6Sn0.4 melt-spun ribbons

    Science.gov (United States)

    Singh, Nidhi; Borgohain, Barsha; Srivastava, A. K.; Dhar, Ajay; Singh, H. K.

    2016-03-01

    Nanocrystalline ribbons of inverse Heusler alloy Mn2Ni1.6Sn0.4 have been synthesised by melt spinning of the arc-melted bulk precursor. The single-phase ribbons crystallize into a cubic structure and exhibit very fine crystallite size of phase transition that begins at M S ≈ 249 K and finishes at M f ≈ 224 K. During warming, the reverse AFM-M to FM-A transitions begins at A s ≈ 240 K and finishes at A f ≈ 261 K. A re-entrant FM transition is observed in the M-phase at T_{{CM}} ≈ 145 K. These transitions are also confirmed by temperature-dependent resistivity ( ρ- T) measurements. The hysteretic behaviour of M- T and ρ- T in the temperature regime spanned by the A-M transition is a manifestation of the first-order phase transition. M- T and ρ- T data also provide unambiguous evidence in favour of spin glass at T AC susceptibility measurements, confirms the existence of canonical spin glass at T phase.

  19. Melt extraction from crystal mushes: Numerical model of texture evolution and calibration of crystallinity-ordering relationships

    Science.gov (United States)

    Špillar, Václav; Dolejš, David

    2015-12-01

    Mechanical crystal-melt interactions in magmatic systems by separation or accumulation of crystals or by extraction of interstitial melt are expected to modify the spatial distribution of crystals observed as phenocrysts in igneous rocks. Textural analysis of porphyritic products can thus provide a quantitative means of interpreting the magnitude of crystal accumulation or melt loss and reconstructing the initial crystal percentage, at which the process occurred. We present a new three-dimensional numerical model that evaluates the effects of crystal accumulation (or interstitial melt removal) on the spatial distribution of crystals. Both processes lead to increasing apparent crystallinity but also to increasing spatial ordering expressed by the clustering index (R). The trend of progressive crystal packing deviates from a random texture trend, produced by static crystal nucleation and growth, and it is universal for any texture with straight log-linear crystal size distribution. For sparse crystal suspensions (5 vol. % crystals, R = 1.03), up to 97% melt can be extracted, corresponding to a new crystallinity of 65 vol.% and R = 1.32, when the rheological threshold of crystal interlocking is reached. For initially crystal-rich suspensions, the compaction path is shorter, this is because the initial crystal population is more aggregated and it reaches the limit of interlocking sooner. Crystal suspensions with ~ 35 vol.% crystals cannot be compacted without mechanical failure. These results illustrate that the onset of the rheological threshold of magma immobility strongly depends on the spatial configuration of crystals in the mush: the primary rigid percolation threshold (~ 35 vol.% crystals) corresponds to touching or interlocking crystal framework produced by in situ closed-system crystallization, whereas the secondary rigid percolation threshold (~ 35 to ~ 75 vol.% crystals) can be reached by compaction, which is particularly spatially efficient when acting on

  20. Modeling the competing phase transition pathways in nanoscale olivine electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Tang Ming, E-mail: tang25@llnl.go [Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Carter, W. Craig [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Belak, James F. [Condensed Matter and Materials Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Chiang, Yet-Ming [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2010-12-30

    Recent experimental developments reveal that nanoscale lithium iron phosphate (LiFePO{sub 4}) olivine particles exhibit very different phase transition behavior from the bulk olivine phase. A crystalline-to-amorphous phase transition has been observed in nanosized particles in competition with the equilibrium phase transition between the lithium-rich and lithium-poor olivine phases. Here we apply a diffuse-interface (phase-field) model to study the kinetics of the different phase transition pathways in nanosized LiFePO{sub 4} particles upon delithiation. We find that the nucleation and growth kinetics of the crystalline-to-crystalline and crystalline-to-amorphous phase transformations are sensitive to the applied electrical overpotential and particle size, which collectively determine the preferred phase transition pathway. While the crystalline-to-crystalline phase transition is favored by either faster nucleation or growth kinetics at low or high overpotentials, particle amorphization dominates at intermediate overpotentials. Decreasing particle size expands the overpotential region in which amorphization is preferred. The asymmetry in the nucleation energy barriers for amorphization and recrystallization results in a phase transition hysteresis that should promote the accumulation of the amorphous phase in electrodes after repeated electrochemical cycling. The predicted overpotential- and size-dependent phase transition behavior of nanoscale LiFePO{sub 4} particles is consistent with experimental observations.

  1. V OLATILEC ALC: a silicate melt-H 2O-CO 2 solution model written in Visual Basic for excel

    Science.gov (United States)

    Newman, Sally; Lowenstern, Jacob B.

    2002-06-01

    We present solution models for the rhyolite-H 2O-CO 2 and basalt-H 2O-CO 2 systems at magmatic temperatures and pressures below ˜5000 bar. The models are coded as macros written in Visual Basic for Applications, for use within Microsoft ® Excel (Office'98 and 2000). The series of macros, entitled V OLATILEC ALC, can calculate the following: (1) Saturation pressures for silicate melt of known dissolved H 2O and CO 2 concentrations and the corresponding equilibrium vapor composition; (2) open- and closed-system degassing paths (melt and vapor composition) for depressurizing rhyolitic and basaltic melts; (3) isobaric solubility curves for rhyolitic and basaltic melts; (4) isoplethic solubility curves (constant vapor composition) for rhyolitic and basaltic melts; (5) polybaric solubility curves for the two end members and (6) end member fugacities of H 2O and CO 2 vapors at magmatic temperatures. The basalt-H 2O-CO 2 macros in V OLATILEC ALC are capable of calculating melt-vapor solubility over a range of silicate-melt compositions by using the relationships provided by Dixon (American Mineralogist 82 (1997) 368). The output agrees well with the published solution models and experimental data for silicate melt-vapor systems for pressures below 5000 bar.

  2. A semiclassical model for the calculation of nonadiabatic transition probabilities for classically forbidden transitions.

    Science.gov (United States)

    Dang, Phuong-Thanh; Herman, Michael F

    2009-02-01

    A semiclassical surface hopping model is presented for the calculation of nonadiabatic transition probabilities for the case in which the avoided crossing point is in the classically forbidden regions. The exact potentials and coupling are replaced with simple functional forms that are fitted to the values, evaluated at the turning point in the classical motion, of the Born-Oppenheimer potentials, the nonadiabatic coupling, and their first few derivatives. For the one-dimensional model considered, reasonably accurate results for transition probabilities are obtained down to around 10(-10). The possible extension of this model to many dimensional problems is discussed. The fact that the model requires only information at the turning point, a point that the trajectories encounter would be a significant advantage in many dimensional problems over Landau-Zener type models, which require information at the avoided crossing seam, which is in the forbidden region where the trajectories do not go.

  3. Lifshitz Transitions in Magnetic Phases of the Periodic Anderson Model

    Science.gov (United States)

    Kubo, Katsunori

    2015-09-01

    We investigate the reconstruction of a Fermi surface, which is called a Lifshitz transition, in magnetically ordered phases of the periodic Anderson model on a square lattice with a finite Coulomb interaction between f electrons. We apply the variational Monte Carlo method to the model by using the Gutzwiller wavefunctions for the paramagnetic, antiferromagnetic, ferromagnetic, and charge-density-wave states. We find that an antiferromagnetic phase is realized around half-filling and a ferromagnetic phase is realized when the system is far away from half-filling. In both magnetic phases, Lifshitz transitions take place. By analyzing the electronic states, we conclude that the Lifshitz transitions to large ordered-moment states can be regarded as itinerant-localized transitions of the f electrons.

  4. Agents adopting agriculture : Modeling the agricultural transition

    NARCIS (Netherlands)

    van der Vaart, Elske; de Boer, Bart; Hankel, Albert; Verheij, Bart; Nolfi, S; Baldassarre, G; Calabretta, R; Hallam, JCT; Marocco, D; Meyer, JA; Miglino, O; Parisi, D

    2006-01-01

    The question "What drove foragers to farm?" has drawn answers from many different disciplines, often in the form of verbal models. Here, we take one such model, that of the ideal free distribution, and implement it as an agent-based computer simulation. Populations distribute themselves according to

  5. Agents adopting agriculture : Modeling the agricultural transition

    NARCIS (Netherlands)

    van der Vaart, Elske; de Boer, Bart; Hankel, Albert; Verheij, Bart; Nolfi, S; Baldassarre, G; Calabretta, R; Hallam, JCT; Marocco, D; Meyer, JA; Miglino, O; Parisi, D

    2006-01-01

    The question "What drove foragers to farm?" has drawn answers from many different disciplines, often in the form of verbal models. Here, we take one such model, that of the ideal free distribution, and implement it as an agent-based computer simulation. Populations distribute themselves according to

  6. CoCrMo cellular structures made by Electron Beam Melting studied by local tomography and finite element modelling

    Energy Technology Data Exchange (ETDEWEB)

    Petit, Clémence [INSA de Lyon, MATEIS CNRS UMR5510, Université de Lyon, 69621 Villeurbanne (France); Maire, Eric, E-mail: eric.maire@insa-lyon.fr [INSA de Lyon, MATEIS CNRS UMR5510, Université de Lyon, 69621 Villeurbanne (France); Meille, Sylvain; Adrien, Jérôme [INSA de Lyon, MATEIS CNRS UMR5510, Université de Lyon, 69621 Villeurbanne (France); Kurosu, Shingo; Chiba, Akihiko [Institute for Materials Research, Tohoku University, Sendai 980-0812 (Japan)

    2016-06-15

    The work focuses on the structural and mechanical characterization of Co-Cr-Mo cellular samples with cubic pore structure made by Electron Beam Melting (EBM). X-ray tomography was used to characterize the architecture of the sample. High resolution images were also obtained thanks to local tomography in which the specimen is placed close to the X-ray source. These images enabled to observe some defects due to the fabrication process: small pores in the solid phase, partially melted particles attached to the surface. Then, in situ compression tests were performed in the tomograph. The images of the deformed sample show a progressive buckling of the vertical struts leading to final fracture. The deformation initiated where the defects were present in the strut i.e. in regions with reduced local thickness. The finite element modelling confirmed the high stress concentrations of these weak points leading to the fracture of the sample. - Highlights: • CoCrMo samples fabricated by Electron Beam Melting (EBM) process are considered. • X-ray Computed Tomography is used to observe the structure of the sample. • The mechanical properties are tested thanks to an in situ test in the tomograph. • A finite element model is developed to model the mechanical behaviour.

  7. Superconductor-insulator transition in the d-p model

    CERN Document Server

    Arimoto, T; Tsuruta, A; Kobayashi, A; Kuroda, Y

    2003-01-01

    We investigate a transition between the superconducting phase and the Mott insulator phase in the d-p model by using the slave-boson method and the 1/N-expansion theory, where the pairing interaction is given by the superexchange interaction J sub s. We show that the competition between the pairing interaction and the Fermi energy induces the transition at finite doping rate. (author)

  8. Phase Transitions in Two-Dimensional Traffic Flow Models

    CERN Document Server

    Cuesta, J A; Molera, J M; Cuesta, José A; Martinez, Froilán C; Molera, Juan M

    1993-01-01

    Abstract: We introduce two simple two-dimensional lattice models to study traffic flow in cities. We have found that a few basic elements give rise to the characteristic phase diagram of a first-order phase transition from a freely moving phase to a jammed state, with a critical point. The jammed phase presents new transitions corresponding to structural transformations of the jam. We discuss their relevance in the infinite size limit.

  9. Phase Transitions in Two-Dimensional Traffic Flow Models

    CERN Document Server

    Cuesta, José A; Molera, Juan M; Escuela, Angel Sánchez; 10.1103/PhysRevE.48.R4175

    2009-01-01

    We introduce two simple two-dimensional lattice models to study traffic flow in cities. We have found that a few basic elements give rise to the characteristic phase diagram of a first-order phase transition from a freely moving phase to a jammed state, with a critical point. The jammed phase presents new transitions corresponding to structural transformations of the jam. We discuss their relevance in the infinite size limit.

  10. Transitional Description of Diatomic Molecules in U(4) Vibron Model

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xin; PAN Feng

    2004-01-01

    U(3)-O(4) transitional description of diatomic molecules in the U(4) vibron model is studied by using the algebraic Bethe ansatz, in which the O(4) limit is a special case of the theory. Vibrational band-heads of some typical diatornic molecules are fitted by both transitional theory and the O(4) limit within the same framework. The results show that there are evident deviations from the O(4) limit in description of vibrational spectra of some diatomic molecules.

  11. Radiative transitions in mesons in a non relativistic quark model

    OpenAIRE

    Bonnaz, R.; Silvestre-Brac, B.; Gignoux, C.

    2001-01-01

    In the framework of the non relativistic quark model, an exhaustive study of radiative transitions in mesons is performed. The emphasis is put on several points. Some traditional approximations (long wave length limit, non relativistic phase space, dipole approximation for E1 transitions, gaussian wave functions) are analyzed in detail and their effects commented. A complete treatment using three different types of realistic quark-antiquark potential is made. The overall agreement with experi...

  12. Radiative transitions in mesons in a non relativistic quark model

    CERN Document Server

    Bonnaz, R; Gignoux, C

    2002-01-01

    In the framework of the non relativistic quark model, an exhaustive study of radiative transitions in mesons is performed. The emphasis is put on several points. Some traditional approximations (long wave length limit, non relativistic phase space, dipole approximation for E1 transitions, gaussian wave functions) are analyzed in detail and their effects commented. A complete treatment using three different types of realistic quark-antiquark potential is made. The overall agreement with experimental data is quite good, but some improvements are suggested.

  13. Phase transitions in models of human cooperation

    Science.gov (United States)

    Perc, Matjaž

    2016-08-01

    If only the fittest survive, why should one cooperate? Why should one sacrifice personal benefits for the common good? Recent research indicates that a comprehensive answer to such questions requires that we look beyond the individual and focus on the collective behavior that emerges as a result of the interactions among individuals, groups, and societies. Although undoubtedly driven also by culture and cognition, human cooperation is just as well an emergent, collective phenomenon in a complex system. Nonequilibrium statistical physics, in particular the collective behavior of interacting particles near phase transitions, has already been recognized as very valuable for understanding counterintuitive evolutionary outcomes. However, unlike pairwise interactions among particles that typically govern solid-state physics systems, interactions among humans often involve group interactions, and they also involve a larger number of possible states even for the most simplified description of reality. Here we briefly review research done in the realm of the public goods game, and we outline future research directions with an emphasis on merging the most recent advances in the social sciences with methods of nonequilibrium statistical physics. By having a firm theoretical grip on human cooperation, we can hope to engineer better social systems and develop more efficient policies for a sustainable and better future.

  14. Stochastic transition model for pedestrian dynamics

    CERN Document Server

    Schultz, Michael

    2012-01-01

    The proposed stochastic model for pedestrian dynamics is based on existing approaches using cellular automata, combined with substantial extensions, to compensate the deficiencies resulting of the discrete grid structure. This agent motion model is extended by both a grid-based path planning and mid-range agent interaction component. The stochastic model proves its capabilities for a quantitative reproduction of the characteristic shape of the common fundamental diagram of pedestrian dynamics. Moreover, effects of self-organizing behavior are successfully reproduced. The stochastic cellular automata approach is found to be adequate with respect to uncertainties in human motion patterns, a feature previously held by artificial noise terms alone.

  15. Modelling of the isothermal replication of surface microstructures in polymer melts

    DEFF Research Database (Denmark)

    Rasmussen, Henrik Koblitz; Eriksson, Torbjörn Gerhard

    2005-01-01

    to the incoming molten plastic flow. Just before the flow-front of the melt reached the end of the inserts the polymer was frozen. The replicated PC and PS micro-structures were examined using a confocal laser scanning microscope. Uniaxial elongational viscosity and linear viscoelasticity were used...

  16. Double transitions in the fully frustrated XY model

    Science.gov (United States)

    Jeon, Gun Sang; Park, Sung Yong; Choi, M. Y.

    1997-06-01

    The fully frustrated XY model is studied via the position-space renormalization group approach. The model is mapped into two coupled XY models, for which the scaling equations are derived. By integrating directly the scaling equations, we observe that there exists a narrow temperature range in which both the vortex and coupling charge fugacities grow large, suggesting double transitions in the system. While the transition at lower temperature is identified to be of the Kosterlitz-Thouless type, the higher-temperature one appears not to be of the Ising universality class.

  17. The transition to emerging revenue models.

    Science.gov (United States)

    Harris, John M; Hemnani, Rashi

    2013-04-01

    A financial assessment aimed at gauging the true impact of the healthcare industry's new value-based payment models for a health system should begin with separate analyses of the following: The direct contract results, The impact of volume changes on net income, The impact of operational improvements, Net income at risk from competitor actions. The results of these four analyses then should be evaluated in combination to identify the ultimate impact of the new revenue models on the health system's bottom line.

  18. Role of melt behavior in modifying oxidation distribution using an interface incorporated model in selective laser melting of aluminum-based material

    Science.gov (United States)

    Gu, Dongdong; Dai, Donghua

    2016-08-01

    A transient three dimensional model for describing the molten pool dynamics and the response of oxidation film evolution in the selective laser melting of aluminum-based material is proposed. The physical difference in both sides of the scan track, powder-solid transformation and temperature dependent physical properties are taken into account. It shows that the heat energy tends to accumulate in the powder material rather than in the as-fabricated part, leading to the formation of the asymmetrical patterns of the temperature contour and the attendant larger dimensions of the molten pool in the powder phase. As a higher volumetric energy density is applied (≥1300 J/mm3), a severe evaporation is produced with the upward direction of velocity vector in the irradiated powder region while a restricted operating temperature is obtained in the as-fabricated part. The velocity vector continuously changes from upward direction to the downward one as the scan speed increases from 100 mm/s to 300 mm/s, promoting the generation of the debris of the oxidation films and the resultant homogeneous distribution state in the matrix. For the applied hatch spacing of 50 μm, a restricted remelting phenomenon of the as-fabricated part is produced with the upward direction of the convection flow, significantly reducing the turbulence of the thermal-capillary convection on the breaking of the oxidation films, and therefore, the connected oxidation films through the neighboring layers are typically formed. The morphology and distribution of the oxidation are experimentally acquired, which are in a good agreement with the results predicted by simulation.

  19. Nonequilibrium Markov state modeling of the globule-stretch transition

    Science.gov (United States)

    Knoch, Fabian; Speck, Thomas

    2017-01-01

    We describe a systematic approach to construct coarse-grained Markov state models from molecular dynamics data of systems driven into a nonequilibrium steady state. We apply this method to study the globule-stretch transition of a single tethered model polymer in shear flow. The folding and unfolding rates of the coarse-grained model agree with the original detailed model. We demonstrate that the folding and unfolding proceeds through the same narrow region of configuration space but along different cycles.

  20. Modelling socio-technical transition patterns and pathways

    NARCIS (Netherlands)

    N. Bergman (Noam); A. Haxeltine (Alex); L. Whitmarsh (Lorraine); J. Köhler (Jonathan); M.P. Schilperoord (Michel); J. Rotmans (Jan)

    2008-01-01

    textabstractWe report on research that is developing a simulation model for assessing systemic innovations, or 'transitions', of societal systems towards a more sustainable development. Our overall aim is to outline design principles for models that can offer new insights into tackling persistent

  1. Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Wen-Sheng, E-mail: wsxu@uchicago.edu [James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Freed, Karl F., E-mail: freed@uchicago.edu [James Franck Institute, The University of Chicago, Chicago, Illinois 60637 (United States); Department of Chemistry, The University of Chicago, Chicago, Illinois 60637 (United States)

    2015-07-14

    The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems.

  2. Models of agglomeration and glass transition

    CERN Document Server

    Kerner, Richard

    2007-01-01

    This book is for any physicist interested in new vistas in the domain of non-crystalline condensed matter, aperiodic and quasi-crystalline networks and especially glass physics and chemistry. Students with an elementary background in thermodynamics and statistical physics will find the book accessible. The physics of glasses is extensively covered, focusing on their thermal and mechanical properties, as well as various models leading to the formation of the glassy states of matter from overcooled liquids. The models of agglomeration and growth are also applied to describe the formation of quasicrystals, fullerenes and, in biology, to describe virus assembly pathways.

  3. Simulated Melting Curve of NaCl up to 200 kbar

    Institute of Scientific and Technical Information of China (English)

    程新路; 刘子江; 蔡灵仓; 张芳沛

    2003-01-01

    The melting curve of NaCl is studied up to 200 kbar by means of the shell-model molecular dynamics method,using massive shell core interaction potentials.The model for the interatomic interaction is shown to produce reasonable results at a wide range of pressures in bulk transitions.The pressure dependence of the melting curve of NaCl was calculated and the result was modified on the assumption of overheating due to the small system size and small time scale simulation.The final result is in good agreement with the corrected experimental values,accounting for melting mechanisms such as surface heating or superheating.Therefore,it is believed that bulk transition simulation at constant pressure indeed provides a useful tool for studying the melting transition.

  4. The Work of Cultural Transition: An Emerging Model

    Directory of Open Access Journals (Sweden)

    Tatiana V. Ryba

    2016-03-01

    Full Text Available In today’s uncertain, fluid job market, transnational mobility has intensified. Though the concept of cultural transition is increasingly used in sport and career research, insight into the processes of how individuals produce their own development through work and relationships in shifting cultural patterns of meaning remains limited. The transnational industry of sports, in which athletes’ psychological adjustment to cultural transitions has implications for both performance and meaningful life, serves as a backdrop for this article. This study applied the life story method to interviews with 15 professional and semi-professional athletes, focusing particularly on the cultural transition aspect of their transnational athletic careers. The aims of the study were to identify the developmental tasks of cultural transitions and strategies/mechanisms through which cultural transitions were enacted. Three underlying mechanisms of the transition process that assisted athletic career adaptability were social repositioning, negotiation of cultural practices, and meaning reconstruction. Based on the data analyses, a temporal model of cultural transition is proposed. The results of this research provide professionals working in the fields of career counseling and migrant support with a content framework for enhancing migrant workers’ adaptabilities and psychological wellbeing.

  5. Building optimal regression tree by ant colony system-genetic algorithm: Application to modeling of melting points

    Energy Technology Data Exchange (ETDEWEB)

    Hemmateenejad, Bahram, E-mail: hemmatb@sums.ac.ir [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of); Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz (Iran, Islamic Republic of); Shamsipur, Mojtaba [Department of Chemistry, Razi University, Kermanshah (Iran, Islamic Republic of); Zare-Shahabadi, Vali [Young Researchers Club, Mahshahr Branch, Islamic Azad University, Mahshahr (Iran, Islamic Republic of); Akhond, Morteza [Department of Chemistry, Shiraz University, Shiraz (Iran, Islamic Republic of)

    2011-10-17

    Highlights: {yields} Ant colony systems help to build optimum classification and regression trees. {yields} Using of genetic algorithm operators in ant colony systems resulted in more appropriate models. {yields} Variable selection in each terminal node of the tree gives promising results. {yields} CART-ACS-GA could model the melting point of organic materials with prediction errors lower than previous models. - Abstract: The classification and regression trees (CART) possess the advantage of being able to handle large data sets and yield readily interpretable models. A conventional method of building a regression tree is recursive partitioning, which results in a good but not optimal tree. Ant colony system (ACS), which is a meta-heuristic algorithm and derived from the observation of real ants, can be used to overcome this problem. The purpose of this study was to explore the use of CART and its combination with ACS for modeling of melting points of a large variety of chemical compounds. Genetic algorithm (GA) operators (e.g., cross averring and mutation operators) were combined with ACS algorithm to select the best solution model. In addition, at each terminal node of the resulted tree, variable selection was done by ACS-GA algorithm to build an appropriate partial least squares (PLS) model. To test the ability of the resulted tree, a set of approximately 4173 structures and their melting points were used (3000 compounds as training set and 1173 as validation set). Further, an external test set containing of 277 drugs was used to validate the prediction ability of the tree. Comparison of the results obtained from both trees showed that the tree constructed by ACS-GA algorithm performs better than that produced by recursive partitioning procedure.

  6. Improved transition models for cepstral trajectories

    CSIR Research Space (South Africa)

    Badenhorst, J

    2012-11-01

    Full Text Available We improve on a piece-wise linear model of the trajectories of Mel Frequency Cepstral Coefficients, which are commonly used as features in Automatic Speech Recognition. For this purpose, we have created a very clean single-speaker corpus, which...

  7. Advances in transitional flow modeling applications to helicopter rotors

    CERN Document Server

    Sheng, Chunhua

    2017-01-01

    This book provides a comprehensive description of numerical methods and validation processes for predicting transitional flows based on the Langtry–Menter local correlation-based transition model, integrated with both one-equation Spalart–Allmaras (S–A) and two-equation Shear Stress Transport (SST) turbulence models. A comparative study is presented to combine the respective merits of the two coupling methods in the context of predicting the boundary-layer transition phenomenon from fundamental benchmark flows to realistic helicopter rotors. The book will of interest to industrial practitioners working in aerodynamic design and the analysis of fixed-wing or rotary wing aircraft, while also offering advanced reading material for graduate students in the research areas of Computational Fluid Dynamics (CFD), turbulence modeling and related fields.

  8. A MATLAB GUI to study Ising model phase transition

    Science.gov (United States)

    Thornton, Curtislee; Datta, Trinanjan

    We have created a MATLAB based graphical user interface (GUI) that simulates the single spin flip Metropolis Monte Carlo algorithm. The GUI has the capability to study temperature and external magnetic field dependence of magnetization, susceptibility, and equilibration behavior of the nearest-neighbor square lattice Ising model. Since the Ising model is a canonical system to study phase transition, the GUI can be used both for teaching and research purposes. The presence of a Monte Carlo code in a GUI format allows easy visualization of the simulation in real time and provides an attractive way to teach the concept of thermal phase transition and critical phenomena. We will also discuss the GUI implementation to study phase transition in a classical spin ice model on the pyrochlore lattice.

  9. Characteristics of the chiral phase transition in nonlocal quark models

    CERN Document Server

    Dumm, D G

    2004-01-01

    The characteristics of the chiral phase transition are analyzed within the framework of chiral quark models with nonlocal interactions in the mean field approximation (MFA). In the chiral limit, we show that there is a region of low values of the chemical potential in which the transition is a second order one. In that region, it is possible to perform a Landau expansion and determine the critical exponents which, as expected, turn out to be the MFA ones. Our analysis also allows to obtain semi-analytical expressions for the transition curve and the location of the tricritical point. For the case of finite current quark masses, we study the behavior of various thermodynamical and chiral response functions across the phase transition.

  10. Using the Star CCM+ software system for modeling the thermal state and natural convection in the melt metal layer during severe accidents in VVER reactors

    Science.gov (United States)

    Kochetov, N. A.; Loktionov, V. D.; Sidorov, A. S.

    2015-09-01

    The possibility of using the Star CCM+ software system for analyzing the thermal state of the melt pool metal layer generated as a result of melt stratification during a severe accident in pressure-vessel nuclear reactors is considered. In order to verify and substantiate the possibility of using this software system for modeling the natural convection processes in the melt at high values of the Rayleigh number, test problems were solved. The obtained results were found to be in good agreement with the known solutions and with the experimental data. The behavior of the melt metal layer was subjected to a parametric analysis for different melt heating conditions, the results of which showed that certain parameters have a determining influence on the so-called focusing effect and on the specific features of current in this layer.

  11. Calculation Model of Mass Action Concentration for Mg-Al, Sr-Al and Ba-Al Melts and Determination of Their Thermodynamic Parameters

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Based on the phase diagrams and the mass action law in combination with the coexistence theory of metallic melts structure, the calculation model of mass action concentration for Mg-Al, Sr-Al and Ba-Al was built, and their thermodynamic parameters were determined. The agreement between calculated and measured results shows that the model and the determined thermodynamic parameters can reflect the structural characteristics of relevant melts. However, the fact that the thermodynamic parameters from literature don′t give the value agree with the measured result may be due to unconformity of these parameters to real chemical reactions in metallic melts.

  12. Characterizing Phase Transitions in a Model of Neutral Evolutionary Dynamics

    Science.gov (United States)

    Scott, Adam; King, Dawn; Bahar, Sonya

    2013-03-01

    An evolutionary model was recently introduced for sympatric, phenotypic evolution over a variable fitness landscape with assortative mating (Dees & Bahar 2010). Organisms in the model are described by coordinates in a two-dimensional phenotype space, born at random coordinates with limited variation from their parents as determined by a mutation parameter, mutability. The model has been extended to include both neutral evolution and asexual reproduction in Scott et al (submitted). It has been demonstrated that a second order, non-equilibrium phase transition occurs for the temporal dynamics as the mutability is varied, for both the original model and for neutral conditions. This transition likely belongs to the directed percolation universality class. In contrast, the spatial dynamics of the model shows characteristics of an ordinary percolation phase transition. Here, we characterize the phase transitions exhibited by this model by determining critical exponents for the relaxation times, characteristic lengths, and cluster (species) mass distributions. Missouri Research Board; J.S. McDonnell Foundation

  13. Laminar-turbulent transition on the flying wing model

    Science.gov (United States)

    Pavlenko, A. M.; Zanin, B. Yu.; Katasonov, M. M.

    2016-10-01

    Results of an experimental study of a subsonic flow past aircraft model having "flying wing" form and belonging to the category of small-unmanned aerial vehicles are reported. Quantitative data about the structure of the flow near the model surface were obtained by hot-wire measurements. It was shown, that with the wing sweep angle 34 °the laminar-turbulent transition scenario is identical to the one on a straight wing. The transition occurs through the development of a package of unstable oscillations in the boundary layer separation.

  14. Charge fluctuations in chiral models and the QCD phase transition

    CERN Document Server

    Skokov, V; Karsch, F; Redlich, K

    2011-01-01

    We consider the Polyakov loop-extended two flavor chiral quark--meson model and discuss critical phenomena related with the spontaneous breaking of the chiral symmetry. The model is explored beyond the mean-field approximation in the framework of the functional renormalisation group. We discuss properties of the net-quark number density fluctuations as well as their higher cumulants. We show that with the increasing net-quark number density, the higher order cumulants exhibit a strong sensitivity to the chiral crossover transition. We discuss their role as probes of the chiral phase transition in heavy-ion collisions at RHIC and LHC.

  15. A flexible coefficient smooth transition time series model.

    Science.gov (United States)

    Medeiros, Marcelo C; Veiga, Alvaro

    2005-01-01

    In this paper, we consider a flexible smooth transition autoregressive (STAR) model with multiple regimes and multiple transition variables. This formulation can be interpreted as a time varying linear model where the coefficients are the outputs of a single hidden layer feedforward neural network. This proposal has the major advantage of nesting several nonlinear models, such as, the self-exciting threshold autoregressive (SETAR), the autoregressive neural network (AR-NN), and the logistic STAR models. Furthermore, if the neural network is interpreted as a nonparametric universal approximation to any Borel measurable function, our formulation is directly comparable to the functional coefficient autoregressive (FAR) and the single-index coefficient regression models. A model building procedure is developed based on statistical inference arguments. A Monte Carlo experiment showed that the procedure works in small samples, and its performance improves, as it should, in medium size samples. Several real examples are also addressed.

  16. Modeling the Influence of Antifreeze Proteins on Three-Dimensional Ice Crystal Melt Shapes using a Geometric Approach

    CERN Document Server

    Liu, Jun Jie; Dolev, Maya Bar; Celik, Yeliz; Wettlaufer, J S; Braslavsky, Ido

    2012-01-01

    The melting of pure axisymmetric ice crystals has been described previously by us within the framework of so-called geometric crystal growth. Nonequilibrium ice crystal shapes evolving in the presence of hyperactive antifreeze proteins (hypAFPs) are experimentally observed to assume ellipsoidal geometries ("lemon" or "rice" shapes). To analyze such shapes we harness the underlying symmetry of hexagonal ice Ih and extend two-dimensional geometric models to three-dimensions to reproduce the experimental dissolution process. The geometrical model developed will be useful as a quantitative test of the mechanisms of interaction between hypAFPs and ice.

  17. Processes controlling surface, bottom and lateral melt of Arctic sea ice in a state of the art sea ice model

    OpenAIRE

    Tsamados, Michel; Feltham, Danny; Petty, Alex; Schroeder, David; Flocco, Dani

    2015-01-01

    We present a modelling study of processes controlling the summer melt of the Arctic sea ice cover. We perform a sensitivity study and focus our interest on the thermodynamics at the ice–atmosphere and ice–ocean interfaces. We use the Los Alamos community sea ice model CICE, and additionally implement and test three new parametrization schemes: (i) a prognostic mixed layer; (ii) a three equation boundary condition for the salt and heat flux at the ice–ocean interface; and (iii) a new lateral m...

  18. Electron-Beam Atomic Spectroscopy for In Situ Measurements of Melt Composition for Refractory Metals: Analysis of Fundamental Physics and Plasma Models

    Science.gov (United States)

    Gasper, Paul Joseph; Apelian, Diran

    2015-04-01

    Electron-beam (EB) melting is used for the processing of refractory metals, such as Ta, Nb, Mo, and W. These metals have high value and are critical to many industries, including the semiconductor, aerospace, and nuclear industries. EB melting can also purify secondary feedstock, enabling the recovery and recycling of these materials. Currently, there is no method for measuring melt composition in situ during EB melting. Optical emission spectroscopy of the plasma generated by EB impact with vapor above the melt, a technique here termed electron-beam atomic spectroscopy, can be used to measure melt composition in situ, allowing for analysis of melt dynamics, facilitating improvement of EB melting processes and aiding recycling and recovery of these critical and high-value metals. This paper reviews the physics of the plasma generation by EB impact by characterizing the densities and energies of electrons, ions, and neutrals, and describing the interactions between them. Then several plasma models are introduced and their suitability to this application analyzed. Lastly, a potential method for calibration-free composition measurement is described and the challenges for implementation addressed.

  19. Numerical modeling of in-vessel melt water interaction in large scale PWR`s

    Energy Technology Data Exchange (ETDEWEB)

    Kolev, N.I. [Siemens AG, KWU NA-M, Erlangen (Germany)

    1998-01-01

    This paper presents a comparison between IVA4 simulations and FARO L14, L20 experiments. Both experiments were performed with the same geometry but under different initial pressures, 51 and 20 bar respectively. A pretest prediction for test L21 which is intended to be performed under an initial pressure of 5 bar is also presented. The strong effect of the volume expansion of the evaporating water at low pressure is demonstrated. An in-vessel simulation for a 1500 MW el. PWR is presented. The insight gained from this study is: that at no time are conditions for the feared large scale melt-water intermixing at low pressure in force, with this due to the limiting effect of the expansion process which accelerates the melt and the water into all available flow paths. (author)

  20. Statistical mechanics of base stacking and pairing in DNA melting

    OpenAIRE

    Ivanov, Vassili; Zeng, Yan; Zocchi, Giovanni

    2004-01-01

    We propose a statistical mechanics model for DNA melting in which base stacking and pairing are explicitly introduced as distinct degrees of freedom. Unlike previous approaches, this model describes thermal denaturation of DNA secondary structure in the whole experimentally accessible temperature range. Base pairing is described through a zipper model, base stacking through an Ising model. We present experimental data on the unstacking transition, obtained exploiting the observation that at m...

  1. Phase transition of p-adic Ising λ-model

    Energy Technology Data Exchange (ETDEWEB)

    Dogan, Mutlay; Akın, Hasan [Department of Mathematics, Faculty of Education, Zirve University, Gaziantep, TR27260 (Turkey); Mukhamedov, Farrukh [Department of Computational & Theoretical Sciences Faculty of Science, International Islamic University Malaysia P.O. Box, 141, 25710, Kuantan Pahang (Malaysia)

    2015-09-18

    We consider an interaction of the nearest-neighbors and next nearest-neighbors for the mixed type p-adic λ-model with spin values (−1, +1) on a Cayley tree of order two. In the previous work we have proved the existence of the p-adic Gibbs measure for the model. In this work we have proved the existence of the phase transition occurs for the model.

  2. Heat flow model for pulsed laser melting and rapid solidification of ion implanted GaAs

    Science.gov (United States)

    Kim, Taeseok; Pillai, Manoj R.; Aziz, Michael J.; Scarpulla, Michael A.; Dubon, Oscar D.; Yu, Kin M.; Beeman, Jeffrey W.; Ridgway, Mark C.

    2010-07-01

    In order to further understand the pulsed-laser melting (PLM) of Mn and N implanted GaAs, which we have used to synthesize thin films of the ferromagnetic semiconductor Ga1-xMnxAs and the highly mismatched alloy GaNxAs1-x, we have simulated PLM of amorphous (a-) and crystalline (c-) GaAs. We present a numerical solution to the one-dimensional heat equation, accounting for phase-dependent reflectivity, optical skin depth, and latent heat, and a temperature-dependent thermal conductivity and specific heat. By comparing the simulations with experimental time-resolved reflectivity and melt depth versus laser fluence, we identify a set of thermophysical and optical properties for the crystalline, amorphous, and liquid phases of GaAs that give reasonable agreement between experiment and simulation. This work resulted in the estimation of thermal conductivity, melting temperature and latent heat of fusion of a-GaAs of 0.008 W/cm K at 300 K, 1350 K, and 2650 J/cm3, respectively. These materials properties also allow the prediction of the solidification velocity of crystalline and ion-amorphized GaAs.

  3. The characterization of the time-dependent nonlinear viscoelastic of an LDPE melt using a simple thixotropy model

    Institute of Scientific and Technical Information of China (English)

    Shuxin Huang; Chuanjing Lu; Ron Marshall

    2005-01-01

    A new simple thixotropy model was proposed in the present paper to characterize the thixotropy-loop experiments and the start-up experiment of an LDPE (PE-FSB23D022/Q200) melt. The thixotropy model is a combination of a viscoelastic-component and a postulated kinetics process of structure change, which is constituted in terms of the indirect microstructural approach usually adopted in the characterization of thixotropy. The descriptions of the thixotropy model on both the thixotropy-loop tests and the startup test show good agreement with the experimental values, indicating the good capability of the model in characterizing the time-dependent nonlinear viscoelastic. The stress overshoot phenomenon and the stress relaxation after cessation of the thixotropy loop test can be described well by the model, whereas both of the typical viscoelastic phenomena could not be described in our previous work with a variant Huang model.

  4. Transition Strength Sums and Quantum Chaos in Shell Model States

    CERN Document Server

    Kota, V K B; Kar, K; Gómez, J M G; Retamosa, J

    2000-01-01

    For the embedded Gaussian orthogonal ensemble (EGOE) of random matrices, the strength sums generated by a transition operator acting on an eigenstate vary with the excitation energy as the ratio of two Gaussians. This general result is compared to exact shell model calculations, with realistic interactions, of spherical orbit occupancies and Gamow-Teller strength sums in some $(ds)$ and $(fp)$ shell examples. In order to confirm that EGOE operates in the chaotic domain of the shell model spectrum, calculations are carried out using two different interpolating hamiltonians generating order-chaos transitions. Good agreement is obtained in the chaotic domain of the spectrum, and strong deviations are observed as nuclear motion approaches a regular regime (transition strength sums appear to follow the Dyson's $\\Delta_3$ statistic). More importantly, they shed new light on the newly emerging understanding that in the chaotic domain of isolated finite interacting many particle systems smoothed densities (they inclu...

  5. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...... by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part...... of this variation is due to changes in the enzyme structure at distances more than 5 Å from the active site. There are significant differences between the results obtained by pure quantum methods and those from mixed quantum and molecular mechanics methods....

  6. Multidiffusion mechanisms for noble gases (He, Ne, Ar) in silicate glasses and melts in the transition temperature domain: Implications for glass polymerization

    Science.gov (United States)

    Amalberti, Julien; Burnard, Pete; Laporte, Didier; Tissandier, Laurent; Neuville, Daniel R.

    2016-01-01

    Noble gases are ideal probes to study the structure of silicate glasses and melts as the modifications of the silicate network induced by the incorporation of noble gases are negligible. In addition, there are systematic variations in noble gas atomic radii and several noble gas isotopes with which the influence of the network itself on diffusion may be investigated. Noble gases are therefore ideally suited to constrain the time scales of magma degassing and cooling. In order to document noble gas diffusion behavior in silicate glass, we measured the diffusivities of three noble gases (4He, 20Ne and 40Ar) and the isotopic diffusivities of two Ar isotopes (36Ar and 40Ar) in two synthetic basaltic glasses (G1 and G2; 20Ne and 36Ar were only measured in sample G1). These new diffusion results are used to re-interpret time scales of the acquisition of fractionated atmospheric noble gas signatures in pumices. The noble gas bearing glasses were synthesized by exposing the liquids to high noble gas partial pressures at high temperature and pressure (1750-1770 K and 1.2 GPa) in a piston-cylinder apparatus. Diffusivities were measured by step heating the glasses between 423 and 1198 K and measuring the fraction of gas released at each temperature step by noble gas mass spectrometry. In addition we measured the viscosity of G1 between 996 and 1072 K in order to determine the precise glass transition temperature and to estimate network relaxation time scales. The results indicate that, to a first order, that the smaller the size of the diffusing atom, the greater its diffusivity at a given temperature: D(He) > D(Ne) > D(Ar) at constant T. Significantly, the diffusivities of the noble gases in the glasses investigated do not display simple Arrhenian behavior: there are well-defined departures from Arrhenian behavior which occur at lower temperatures for He than for Ne or Ar. We propose that the non-Arrhenian behavior of noble gases can be explained by structural modifications

  7. Engineering models of deflagration-to-detonation transition

    Energy Technology Data Exchange (ETDEWEB)

    Bdzil, J.B.; Son, S.F.

    1995-07-01

    For the past two years, Los Alamos has supported research into the deflagration-to-detonation transition (DDT) in damaged energetic materials as part of the explosives safety program. This program supported both a theory/modeling group and an experimentation group. The goal of the theory/modeling group was to examine the various modeling structures (one-phase models, two-phase models, etc.) and select from these a structure suitable to model accidental initiation of detonation in damaged explosives. The experimental data on low-velocity piston supported DDT in granular explosive was to serve as a test bed to help in the selection process. Three theoretical models have been examined in the course of this study: (1) the Baer-Nunziato (BN) model, (2) the Stewart-Prasad-Asay (SPA) model and (3) the Bdzil-Kapila-Stewart model. Here we describe these models, discuss their properties, and compare their features.

  8. Effect of melt composition on crustal carbonate assimilation: Implications for the transition from calcite consumption to skarnification and associated CO2 degassing

    Science.gov (United States)

    Carter, Laura B.; Dasgupta, Rajdeep

    2016-10-01

    Skarns are residue of relatively low-temperature magma-induced decarbonation in the crust largely associated with silicic plutons. Mafic magmatic intrusions are also capable of releasing excess CO2 due to carbonate assimilation. However, the effect of mafic to silicic melt evolution on the decarbonation processes, in addition to temperature controls on carbonate-intrusive magmatic systems, particularly at continental arcs, remains unclear. In this study, experiments performed in a piston cylinder apparatus at midcrustal depth (0.5 GPa) at supersolidus temperatures (900-1200°C) document calcite interaction with andesite and dacite melts at equilibrium under closed-system conditions at calcite saturation in a 1:1 melt-calcite ratio by weight. With increasing silica content in the starting melt, at similar melt fractions and identical pressure, assimilation decreases drastically (≤65% andesite-calcite to ≤18% dacite-calcite). In conjunction, the CaO/SiO2 ratio in melts resulting from calcite assimilation in andesitic starting material is >1, but ≤0.3 in those formed from dacite-calcite interaction. With increasing silica-content in the starting melt skarn mineralogy, particularly wollastonite, increases in modal abundance while diopsidic clinopyroxene decreases slightly. More CO2 is released with andesite-calcite reaction (≤2.9 × 1011 g/y) than with more skarn-like dacite-calcite interaction (≤8.1 × 1010 g/y, at one volcano assuming respective calcite-free-superliquidus conditions and a magma flux of 1012 g/y). Our experimental results thus suggest that calcite assimilation in more mafic magmas may have first degassed a significant amount of crustal carbon before the melt evolves to more silicic compositions, producing skarn. Crustal decarbonation in long-lived magmatic systems may hence deliver significant albeit diminishing amounts of carbon to the atmosphere and contribute to long-term climate change.

  9. Modal choice model for fare-free transit

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A.; Goss, W.P.

    1977-03-01

    Using travel data collected at the University of Massachusetts during a research and demonstration project sponsored by the Urban Mass Transportation Administration, a disaggregate behavioral-mode choice model has been developed for predicting ridership on fare-free transit systems. The calibrated model suggests that access time to the fare-free transit stop, annual automobile parking fee, auto mode bias constant reflecting the comfort and convenience associated with auto travel, and number of autos available for commuting are the most significant attributes in explaining the mode choice between auto and fare-free transit. For this specific demonstration project, some level-of-service variables, such as the difference between in-vehicle travel time using auto and fare-free transit, auto operating cost, wait time at the fare-free transit stop, and some of the socio-economic attributes of the commuter, such as sex and status, were not found to be as important in affecting the mode choice. 14 references.

  10. Towards automated model calibration and validation in rail transit simulation

    NARCIS (Netherlands)

    Huang, Y.; Seck, M.D.; Verbraeck, A.

    2012-01-01

    The benefit of modeling and simulation in rail transit operations has been demonstrated in various studies. However, the complex dynamics involved and the ever-changing environment in which rail systems evolve expose the limits of classical simulation. Changing environmental conditions and second or

  11. Linearity and Misspecification Tests for Vector Smooth Transition Regression Models

    DEFF Research Database (Denmark)

    Teräsvirta, Timo; Yang, Yukai

    The purpose of the paper is to derive Lagrange multiplier and Lagrange multiplier type specification and misspecification tests for vector smooth transition regression models. We report results from simulation studies in which the size and power properties of the proposed asymptotic tests in small...

  12. The electroweak phase transition in models with gauge singlets

    Energy Technology Data Exchange (ETDEWEB)

    Ahriche, A.

    2007-04-18

    A strong first order phase transition is needed for generating the baryon asymmetry; and also to save it during the electroweak phase transition (EWPT). However this condition is not fulfilled within the Standard Model (SM), but in its extensions. It is widely believed that the existence of singlet scalars in some Standard Model extensions can easily make the EWPT strongly first order. In this work, we will examine the strength of the EWPT in the simplest extension of the SM with a real gauge singlet using the sphaleron energy at the critical temperature. We find that the phase transition is stronger by adding a singlet; and also that the criterion for a strong phase transition {omega}(T{sub c})/T{sub c} >or similar 1, where {omega} = (v{sup 2} + (x - x{sub 0}){sup 2}){sup (}1)/(2) and x(x{sub 0}) is the singlet vacuum expectation value in the broken (symmetric) phase, is not valid for models containing singlets, even though often used in the literature. The usual condition v{sub c}/T{sub c} >or similar 1 is more meaningful, and it is satisfied for the major part of the parameter space for physically allowed Higgs masses. Then it is convenient to study the EWPT in models with singlets that couple only to the Higgs doublets, by replacing the singlets by their vevs. (orig.)

  13. Instabilities near the QCD phase transition in the holographic models

    NARCIS (Netherlands)

    Gürsoy, U.; Lin, S.; Shuryak, E.

    2013-01-01

    This paper discusses phenomena close to the critical QCD temperature, using the holographic model. One issue studied is the overcooled high-T phase, in which we calculate quasinormal sound modes. We do not find instabilities associated with other first-order phase transitions, but nevertheless obser

  14. On the logical specification of probabilistic transition models

    CSIR Research Space (South Africa)

    Rens, G

    2013-05-01

    Full Text Available We investigate the requirements for specifying the behaviors of actions in a stochastic domain. That is, we propose how to write sentences in a logical language to capture a model of probabilistic transitions due to the execution of actions of some...

  15. Network Inoculation: Heteroclinics and phase transitions in an epidemic model

    CERN Document Server

    Yang, Hui; Gross, Thilo

    2016-01-01

    In epidemiological modelling, dynamics on networks, and in particular adaptive and heterogeneous networks have recently received much interest. Here we present a detailed analysis of a previously proposed model that combines heterogeneity in the individuals with adaptive rewiring of the network structure in response to a disease. We show that in this model qualitative changes in the dynamics occur in two phase transitions. In a macroscopic description one of these corresponds to a local bifurcation whereas the other one corresponds to a non-local heteroclinic bifurcation. This model thus provides a rare example of a system where a phase transition is caused by a non-local bifurcation, while both micro- and macro-level dynamics are accessible to mathematical analysis. The bifurcation points mark the onset of a behaviour that we call network inoculation. In the respective parameter region exposure of the system to a pathogen will lead to an outbreak that collapses, but leaves the network in a configuration wher...

  16. Modeling the Coordinated Operation between Bus Rapid Transit and Bus

    Directory of Open Access Journals (Sweden)

    Jiaqing Wu

    2015-01-01

    Full Text Available The coordination between bus rapid transit (BRT and feeder bus service is helpful in improving the operational efficiency and service level of urban public transport system. Therefore, a coordinated operation model of BRT and bus is intended to develop in this paper. The total costs are formulated and optimized by genetic algorithm. Moreover, the skip-stop BRT operation is considered when building the coordinated operation model. A case of the existing bus network in Beijing is studied, the proposed coordinated operation model of BRT and bus is applied, and the optimized headway and costs are obtained. The results show that the coordinated operation model could effectively decrease the total costs of the transit system and the transfer time of passengers. The results also suggest that the coordination between the skip-stop BRT and bus during peak hour is more effective than non-coordination operation.

  17. Pressure dependence of the melting temperature of metals

    Science.gov (United States)

    Schlosser, Herbert; Vinet, Pascal; Ferrante, John

    1989-01-01

    A new method for the analysis of the experimental data for the pressure dependence of the melting temperature of metals is presented. The method combines Lindemann's law, the Debye model, and a first-order equation of state with the experimental observation that the Grueneisen parameter divided by the volume is constant. It is observed that, based on these assumptions, in the absence of phase transitions, plots of the logarithm of the normalized melting temperature versus the logarithm of the normalized pressure are straight lines. It is found that the normalized-melting--temperature versus normalized-pressure curves accurately satisfy the linear relationship for Al, Ag, Au, Cs, Cu, K, Na, Pt, and Rb. In addition, this technique provides a sensitive tool for detecting phase transitions.

  18. The influence of Greenland melt water on climate during past and future warm periods: a model study

    Science.gov (United States)

    Blaschek, Michael; Bakker, Pepijn; Renssen, Hans

    2013-04-01

    "Can past climates teach us something about the future?" Under this general question of interest to most palaeoclimate-modeller we specified it more to "Can past changes in the strength of the Atlantic Meridional Overturning Circulation (AMOC) related to melt water from the Greenland Ice Sheet (GIS) teach us something about future changes in the AMOC forced by predicted partial melting of the GIS?" To address this question, we developed a series of sensitivity experiments with the global atmosphere-ocean-sea-ice model LOVECLIM to better understand the relationship between the strength of the Atlantic Meridional Overturning Circulation (AMOC) and Greenland Ice Sheet (GIS) melt over the last and present interglacials (the Eemian and the Holocene, respectively) and put these into perspective of future greenhouse gas emission scenarios. In terms of radiative forcing, future emission scenarios are different from past orbitally-forced warm periods, as past insolation varied per season and per latitude, whereas radiative forcing due to future greenhouse gas emissions has no seasonal component (i.e. it is an annual forcing) and shows little variation per latitude. However, the two can be compared when we consider the radiative forcing regimes of the different considered warm climates, by focusing on the energy that is potentially available from radiative forcing to melt the GIS. In a similar approach, Swingedouw et al. (2009) have shown in simulations with an AOGCM that the AMOC sensitivity relates non-linear to freshwater input and that under Last Glacial Maximum (LGM) conditions the climate is more sensitive compared to warmer climates. They conclude that different climatic conditions share similar patterns in response and that past climates are useful for models to evaluate their abilities in reproducing past events. The authors encourage further model sensitivity testing to gain a better understanding of this highly important question. In order to test this approach we

  19. Stochastic Simulator for modeling the transition to lasing

    CERN Document Server

    Puccioni, G P

    2014-01-01

    A Stochastic Simulator (SS) is proposed, based on a semiclassical description of the radiation-matter interaction, to obtain an efficient description of the lasing transition for devices ranging from the nanolaser to the traditional "macroscopic" laser. Steady-state predictions obtained with the SS agree both with more traditional laser modeling and with the description of phase transitions in small-sized systems, and provide additional information on fluctuations. Dynamical information can easily be obtained, with good computing time efficiency, which convincingly highlights the role of fluctuations at threshold.

  20. Dynamical Phase Transition in a Model for Evolution with Migration

    Science.gov (United States)

    Waclaw, Bartłomiej; Allen, Rosalind J.; Evans, Martin R.

    2010-12-01

    We study a simple quasispecies model for evolution in two different habitats, with different fitness landscapes, coupled through one-way migration. Our key finding is a dynamical phase transition at a critical value of the migration rate, at which the time to reach the steady state diverges. The genetic composition of the population is qualitatively different above and below the transition. Using results from localization theory, we show that the critical migration rate may be very small—demonstrating that evolutionary outcomes can be very sensitive to even a small amount of migration.

  1. Finite Element Modeling of Metasurfaces with Generalized Sheet Transition Conditions

    CERN Document Server

    Sandeep, Srikumar; Caloz, Christophe

    2016-01-01

    A modeling of metasurfaces in the finite element method (FEM) based on generalized sheet transition conditions (GSTCs) is presented. The discontinuities in electromagnetic fields across a metasurface as represented by the GSTC are modeled by assigning nodes to both sides of the metasurface. The FEM-GSTC formulation in both 1D and 2D domains is derived and implemented. The method is extended to handle more general bianistroptic metasurfaces. The formulations are validated by several illustrative examples.

  2. Modeling the Coordinated Operation between Bus Rapid Transit and Bus

    OpenAIRE

    Jiaqing Wu; Rui Song; Youan Wang; Feng Chen; Shubin Li

    2015-01-01

    The coordination between bus rapid transit (BRT) and feeder bus service is helpful in improving the operational efficiency and service level of urban public transport system. Therefore, a coordinated operation model of BRT and bus is intended to develop in this paper. The total costs are formulated and optimized by genetic algorithm. Moreover, the skip-stop BRT operation is considered when building the coordinated operation model. A case of the existing bus network in Beijing is studied, the ...

  3. Economic development and the transition to democracy a formal model

    OpenAIRE

    Baizhu Chen; Yi Feng

    1998-01-01

    In this essay, we have developed a rational choice model to study the transition to democracy. Such a model implies that the change or maintenance of a political system is the result of rational decisions by individuals, interest groups, and political parties under specific constraints. Our analysis shows that political systems are critically dependent upon the level of economic development. If a nation is at the lower stage of economic development, and, particularly, if its citizenry is poor...

  4. Development of a One-Equation Transition/Turbulence Model

    Energy Technology Data Exchange (ETDEWEB)

    EDWARDS,JACK R.; ROY,CHRISTOPHER J.; BLOTTNER,FREDERICK G.; HASSAN,HASSAN A.

    2000-09-26

    This paper reports on the development of a unified one-equation model for the prediction of transitional and turbulent flows. An eddy viscosity - transport equation for non-turbulent fluctuation growth based on that proposed by Warren and Hassan (Journal of Aircraft, Vol. 35, No. 5) is combined with the Spalart-Allmaras one-equation model for turbulent fluctuation growth. Blending of the two equations is accomplished through a multidimensional intermittence function based on the work of Dhawan and Narasimha (Journal of Fluid Mechanics, Vol. 3, No. 4). The model predicts both the onset and extent of transition. Low-speed test cases include transitional flow over a flat plate, a single element airfoil, and a multi-element airfoil in landing configuration. High-speed test cases include transitional Mach 3.5 flow over a 5{degree} cone and Mach 6 flow over a flared-cone configuration. Results are compared with experimental data, and the spatial accuracy of selected predictions is analyzed.

  5. Phase transition and surface sublimation of a mobile Potts model.

    Science.gov (United States)

    Bailly-Reyre, A; Diep, H T; Kaufman, M

    2015-10-01

    We study in this paper the phase transition in a mobile Potts model by the use of Monte Carlo simulation. The mobile Potts model is related to a diluted Potts model, which is also studied here by a mean-field approximation. We consider a lattice where each site is either vacant or occupied by a q-state Potts spin. The Potts spin can move from one site to a nearby vacant site. In order to study the surface sublimation, we consider a system of Potts spins contained in a recipient with a concentration c defined as the ratio of the number of Potts spins N(s) to the total number of lattice sites N(L)=N(x)×N(y)×N(z). Taking into account the attractive interaction between the nearest-neighboring Potts spins, we study the phase transitions as functions of various physical parameters such as the temperature, the shape of the recipient, and the spin concentration. We show that as the temperature increases, surface spins are detached from the solid phase to form a gas in the empty space. Surface order parameters indicate different behaviors depending on the distance to the surface. At high temperatures, if the concentration is high enough, the interior spins undergo a first-order phase transition to an orientationally disordered phase. The mean-field results are shown as functions of temperature, pressure, and chemical potential, which confirm in particular the first-order character of the transition.

  6. batman: BAsic Transit Model cAlculatioN in Python

    Science.gov (United States)

    Kreidberg, Laura

    2015-11-01

    I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman .

  7. batman: BAsic Transit Model cAlculatioN in Python

    CERN Document Server

    Kreidberg, Laura

    2015-01-01

    I introduce batman, a Python package for modeling exoplanet transit light curves. The batman package supports calculation of light curves for any radially symmetric stellar limb darkening law, using a new integration algorithm for models that cannot be quickly calculated analytically. The code uses C extension modules to speed up model calculation and is parallelized with OpenMP. For a typical light curve with 100 data points in transit, batman can calculate one million quadratic limb-darkened models in 30 seconds with a single 1.7 GHz Intel Core i5 processor. The same calculation takes seven minutes using the four-parameter nonlinear limb darkening model (computed to 1 ppm accuracy). Maximum truncation error for integrated models is an input parameter that can be set as low as 0.001 ppm, ensuring that the community is prepared for the precise transit light curves we anticipate measuring with upcoming facilities. The batman package is open source and publicly available at https://github.com/lkreidberg/batman.

  8. Glass transition dynamics and conductivity scaling in ionic deep eutectic solvents: The case of (acetamide + lithium nitrate/sodium thiocyanate) melts

    Energy Technology Data Exchange (ETDEWEB)

    Tripathy, Satya N., E-mail: satyanarayantripathy@gmail.com; Wojnarowska, Zaneta; Knapik, Justyna; Paluch, Marian [Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice (Poland); Silesian Center for Education and Interdisciplinary Research, 75 Pulku Piechoty 1A, 41-500 Chorzow (Poland); Shirota, Hideaki [Department of Nanomaterial Science and Department of Chemistry, Chiba University, 1-33 Yayoi, Inage-ku, Chiba 263-8522 (Japan); Biswas, Ranjit [Department of Chemical, Biological and Macromolecular Sciences, S. N. Bose National Centre for Basic Sciences, JD Block, Sector III, Salt Lake, Kolkata 700098 (India)

    2015-05-14

    A detailed investigation on the molecular dynamics of ionic deep eutectic solvents (acetamide + lithium nitrate/sodium thiocyanate) is reported. The study was carried out employing dielectric relaxation spectroscopy covering seven decades in frequency (10{sup −1}-10{sup 6} Hz) and in a wide temperature range from 373 K down to 173 K, accessing the dynamic observables both in liquid and glassy state. The dielectric response of the ionic system has been presented in the dynamic window of modulus formalism to understand the conductivity relaxation and its possible connection to the origin of localized motion. Two secondary relaxation processes appear below glass transition temperature. Our findings provide suitable interpretation on the nature of secondary Johari-Goldstein process describing the ion translation and orientation of dipoles in a combined approach using Ngai’s coupling model. A nearly constant loss feature is witnessed at shorter times/lower temperatures. We also discuss the ac conductivity scaling behavior using Summerfield approach and random free energy barrier model which establish the time-temperature superposition principle. These experimental observations have fundamental importance on theoretical elucidation of the conductivity relaxation and glass transition phenomena in molten ionic conductors.

  9. Charged Lepton Flavor-violating Transitions in Color Octet Model

    CERN Document Server

    Li, Bin; Ma, Xiao-Dong

    2016-01-01

    We study charged lepton flavor-violating (LFV) transitions in the color octet model that generates neutrino mass and lepton mixing at one loop. By taking into account neutrino oscillation data and assuming octet particles of TeV scale mass, we examine the feasibility to detect these transitions in current and future experiments. We find that for general values of parameters the branching ratios for LFV decays of the Higgs and $Z$ bosons are far below current and even future experimental bounds. For LFV transitions of the muon, the present bounds can be satisfied generally, while future sensitivities could distinguish between the singlet and triplet color-octet fermions. The triplet case could be ruled out by future $\\mu-e$ conversion in nuclei, and for the singlet case the conversion and the decays $\\mu\\to 3e,~e\\gamma$ play complementary roles in excluding relatively low mass regions of the octet particles.

  10. Phase transition with an isospin dependent lattice gas model

    Energy Technology Data Exchange (ETDEWEB)

    Gulminelli, F. [Caen Univ., 14 (France). Lab. de Physique Corpusculaire; Chomaz, Ph. [Grand Accelerateur National d`Ions Lourds (GANIL), 14 - Caen (France)

    1998-10-01

    The nuclear liquid-gas phase transition is studied within an isospin dependent Lattice Gas Model in the canonical ensemble. Finite size effects on thermodynamical variables are analyzed by a direct calculation of the partition function, and it is shown that phase coexistence and phase transition are relevant concepts even for systems of a few tens of particles. Critical exponents are extracted from the behaviour of the fragment production yield as a function of temperature by means of a finite size scaling. The result is that in a finite system well defined critical signals can be found at supercritical (Kertesz line) as well as subcritical densities. For isospin asymmetric systems it is shown that, besides the modification of the critical temperature, isotopic distributions can provide an extra observable to identify and characterize the transition. (author) 21 refs.

  11. Charged lepton flavor-violating transitions in color octet model

    Energy Technology Data Exchange (ETDEWEB)

    Li, Bin; Ma, Xiao-Dong [Nankai University, School of Physics, Tianjin (China); Liao, Yi [Nankai University, School of Physics, Tianjin (China); Chinese Academy of Sciences, CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Beijing (China); Peking University, Center for High Energy Physics, Beijing (China)

    2016-11-15

    We study charged lepton flavor-violating (LFV) transitions in the color octet model that generates neutrino mass and lepton mixing at one loop. By taking into account neutrino oscillation data and assuming octet particles of TeV scale mass, we examine the feasibility to detect these transitions in current and future experiments. We find that for general values of parameters the branching ratios for LFV decays of the Higgs and Z bosons are far below current and even future experimental bounds. For LFV transitions of the muon, the present bounds can be satisfied generally, while future sensitivities could distinguish between the singlet and triplet color-octet fermions. The triplet case could be ruled out by future μ - e conversion in nuclei, and for the singlet case the conversion and the decays μ → 3e, eγ play complementary roles in excluding relatively low-mass regions of the octet particles. (orig.)

  12. Physics-Based Modeling of Electric Operation, Heat Transfer, and Scrap Melting in an AC Electric Arc Furnace

    Science.gov (United States)

    Opitz, Florian; Treffinger, Peter

    2016-04-01

    Electric arc furnaces (EAF) are complex industrial plants whose actual behavior depends upon numerous factors. Due to its energy intensive operation, the EAF process has always been subject to optimization efforts. For these reasons, several models have been proposed in literature to analyze and predict different modes of operation. Most of these models focused on the processes inside the vessel itself. The present paper introduces a dynamic, physics-based model of a complete EAF plant which consists of the four subsystems vessel, electric system, electrode regulation, and off-gas system. Furthermore the solid phase is not treated to be homogenous but a simple spatial discretization is employed. Hence it is possible to simulate the energy input by electric arcs and fossil fuel burners depending on the state of the melting progress. The model is implemented in object-oriented, equation-based language Modelica. The simulation results are compared to literature data.

  13. Phase transition in the Sznajd model with independence

    CERN Document Server

    Sznajd-Weron, K; Timpanaro, A M

    2011-01-01

    We propose a model of opinion dynamics which describes two major types of social influence -- conformity and independence. Conformity in our model is described by the so called outflow dynamics (known as Sznajd model). According to sociologists' suggestions, we introduce also a second type of social influence, known in social psychology as independence. Various social experiments have shown that the level of conformity depends on the society. We introduce this level as a parameter of the model and show that there is a continuous phase transition between conformity and independence.

  14. Can sigma models describe finite temperature chiral transitions?

    CERN Document Server

    Kocic, Aleksandar; Aleksandar KOCIC; John KOGUT

    1995-01-01

    Large-N expansions and computer simulations indicate that the universality class of the finite temperature chiral symmetry restoration transition in the 3D Gross-Neveu model is mean field theory. This is a counterexample to the standard 'sigma model' scenario which predicts the 2D Ising model universality class. We trace the breakdown of the standard scenario (dimensional reduction and universality) to the absence of canonical scalar fields in the model. We point out that our results could be generic for theories with dynamical symmetry breaking, such as Quantum Chromodynamics.

  15. A model of sulphur solubility for hydrous mafic melts: application to the determination of magmatic fluid compositions of Italian volcanoes

    Directory of Open Access Journals (Sweden)

    M. Pichavant

    2005-06-01

    Full Text Available We present an empirical model of sulphur solubility that allows us to calculate f S2 if P, T, fO2 and the melt composition, including H2O and S, are known. The model is calibrated against three main experimental data bases consisting in both dry and hydrous silicate melts. Its prime goal is to calculate the f S2 of hydrous basalts that currently lack experimental constraints of their sulphur solubility behaviour. Application of the model to Stromboli, Vesuvius, Vulcano and Etna eruptive products shows that the primitive magmas found at these volcanoes record f S2 in the range 0.1-1 bar. In contrast, at all volcanoes the magmatic evolution is marked by dramatic variations in f S2 that spreads over up to 9 orders of magnitude. The f S2 can either increase during differentiation or decrease during decompression to shallow reservoirs, and seems to be related to closed versus open conduit conditions, respectively. The calculated f S2 shows that the Italian magmas are undersaturated in a FeS melt, except during closed conduit conditions, in which case differentiation may eventually reach conditions of sulphide melt saturation. The knowledge of f S2, fO2 and fH2O allows us to calculate the fluid phase composition coexisting with magmas at depth in the C-O-H-S system. Calculated fluids show a wide range in composition, with CO2 mole fractions of up to 0.97. Except at shallow levels, the fluid phase is generally dominated by CO2 and H2O species, the mole fractions of SO2 and H2S rarely exceeding 0.05 each. The comparison between calculated fluid compositions and volcanic gases shows that such an approach should provide constraints on both the depth and mode of degassing, as well as on the amount of free fluid in magma reservoirs. Under the assumption of a single step separation of the gas phase in a closed-system condition, the application to Stromboli and Etna suggests that the main reservoirs feeding the eruptions and persistent

  16. Inequivalent models of irreversible dimer filling: ``Transition state'' dependence

    Science.gov (United States)

    Nord, R. S.; Evans, J. W.

    1990-12-01

    Irreversible adsorption of diatomics on crystalline surfaces is sometimes modeled as random dimer filling of adjacent pairs of sites on a lattice. We note that this process can be implemented in two distinct ways: (i) randomly pick adjacent pairs of sites, jj', and fill jj' only if both are empty (horizontal transition state); or (ii) randomly pick a single site, j, and if j and at least one neighbor are empty, then fill j and a randomly chosen empty neighbor (vertical transition state). Here it is instructive to consider processes which also include competitive random monomer filling of single sites. We find that although saturation (partial) coverages differ little between the models for pure dimer filling, there is a significant difference for comparable monomer and dimer filling rates. We present exact results for saturation coverage behavior for a linear lattice, and estimates for a square lattice. Ramifications for simple models of CO oxidation on surfaces are indicated.

  17. Moving Forward on Sustainable Energy Transitions: The Smart Rural Model

    Directory of Open Access Journals (Sweden)

    Francesca Poggi

    2015-06-01

    Full Text Available Among the different aspects that promote Sustainable Development, energy is a critical concern to meet the needs of present and future generations in a global-scale and long-term vision. Going beyond the emergence of local responses such as “Nearly Zero-Energy Buildings” or “Smart Cities” models, a more comprehensive view on sustainable energy planning, which involves urban and rural areas as an energetically balanced whole, has to be promoted. Central to this approach is the concept of transition which urges to be conceived in a broader and incremental change of society as pleaded by Rob Hopkins in Transition Towns. Spatial planning is able to manage the complex relationships between environment, economy and society and can represent the driver to implement integrated approaches and adaptive strategies towards the transition from “the actual fossil fuels system” to “a future net zero fossil fuels system”. This paper presents how such questions are being addressed and developed within the field of the doctoral thesis entitled “Smart Rural: energy efficiency and renewable energies in rural areas”. The interdisciplinary research design flow and expected results that support the Smart Rural model are presented in order to debate the thesis statement : “Can an integrated planning process for energy efficiency and renewable energies in rural areas, support the “Net-Zero Energy” balance at the municipal scale?” Keywords: Sustainable energy; transition towns; smart rural; energy efficiency; renewable energies; energy balance.

  18. The comfortable driving model revisited: Traffic phases and phase transitions

    CERN Document Server

    Knorr, Florian

    2013-01-01

    We study the spatiotemporal patterns resulting from different boundary conditions for a microscopic traffic model and contrast it with empirical results. By evaluating the time series of local measurements, the local traffic states are assigned to the different traffic phases of Kerner's three-phase traffic theory. For this classification we use the rule-based FOTO-method, which provides `hard' rules for this assignment. Using this approach, our analysis shows that the model is indeed able to reproduce three qualitatively different traffic phases: free flow (F), synchronized traffic (S), and wide moving jams (J). In addition, we investigate the likelihood of transitions between the three traffic phases. We show that a transition from free flow (F) to a wide moving jam (J) often involves an intermediate transition; first from free flow F to synchronized flow S and then from synchronized flow to a wide moving jam. This is supported by the fact that the so called F->S transition (from free flow to synchronized t...

  19. Extratropical transitioning in the RMS Japan typhoon wind field model

    Science.gov (United States)

    Loridan, Thomas; Scherer, Emilie; Khare, Shree

    2013-04-01

    Given its meridional extent and location within the Pacific basin, Japan is regularly impacted by strong winds from cyclones at different stages of their lifecycle. To quantify the associated risk of damage to properties, catastrophe models such as the ones developed by RMS aim to simulate wind fields from thousands of stochastic storms that extrapolate historical events. In a recent study using 25 years of reanalysis data, Kitabatake (2011) estimated that 40 % of all Pacific tropical cyclones completed their transition as an extra tropical system. From a cat modelling point of view it is the increase in wind field asymmetry observed during these transitioning episodes that is critical, with examples like typhoon Tokage in 2004 showing the potential for damaging gusts on both sides of the storm track. In this context a compromise has to be found between the need for complex numerical models able to simulate wind field variability around the cyclone during its entire evolution, and obvious running time constrains. The RMS wind field model is based on an optimized version of the Willoughby parametric profile (Willoughby et al., 2006) which requires calibration against targets representative of cyclone wind fields throughout their lifecycle. We here present the different sources of data involved in the development of this model. This includes (1) satellite products to characterize wind fields from fully tropical storms, (2) high resolution simulations of key transitioning events using the WRF mesoscale model to complement the database at other stages (i.e. for transitioning and fully extra tropical wind fields), and (3) reanalysis data which can be used with Hart (2003)'s cyclone phase space methodology to provide an estimate of the mean duration of transitioning episodes in the Pacific. Kitabatake, N., 2011: Climatology of extratropical transition of tropical cyclones in the Western North Pacific defined by using cyclone phase space. J. Meteor. Soc. Japan, 89, 309

  20. A Model Study Of The Deconfining Phase Transition

    CERN Document Server

    Velytsky, A

    2004-01-01

    The study of the deconfining phase transition or crossover is important for the understanding of properties of nuclear matter and the quark gluon plasma. Heavy ion collisions experiments are capable of creating conditions necessary for deconfinement. The dynamics of this process and not only its equilibrium properties are of interest. In this dissertation non-equilibrium aspects of rapid heating and cooling of the QCD vacuum are studied in a model framework. The 3-D Potts model with an external magnetic field is an effective model of QCD (of pure SU(3) gauge theory, when the magnetic field is set to zero), which we study by means of Monte Carlo simulations. Other models are used to understand the influence of the strength of the phase transition. In our investigations these systems are temperature driven through a phase transition or a rapid crossover using updating procedures in the Glauber universality class. We study hysteresis cycles with different updating speeds and simulations of a quench. Qualitativel...

  1. Discontinuous Transition of a Multistage Independent Cascade Model on Networks

    CERN Document Server

    Hasegawa, Takehisa

    2012-01-01

    We study a multistage independent cascade (MIC) model in complex networks. This model is parameterized by two probabilities: T1 is the probability that a node adopting a fad increases the awareness of a neighboring susceptible node until it abandons the fad, and T2 is the probability that an adopter directly causes a susceptible node to adopt the fad. We formulate a framework of tree approximation for the MIC model on an uncorrelated network with an arbitrary given degree distribution. As an application, we study this model on a random regular network with degree k=6 to show that it has a rich phase diagram including continuous and discontinuous transition lines for the percolation of fads as well as a continuous transition line for the percolation of susceptible nodes. In particular, the percolation transition of fads is discontinuous (continuous) when T1 is larger (smaller) than a certain value. Furthermore, the phase boundaries drastically change by assigning a finite fraction of initial adopters. We discu...

  2. Quantum hidden Markov models based on transition operation matrices

    Science.gov (United States)

    Cholewa, Michał; Gawron, Piotr; Głomb, Przemysław; Kurzyk, Dariusz

    2017-04-01

    In this work, we extend the idea of quantum Markov chains (Gudder in J Math Phys 49(7):072105 [3]) in order to propose quantum hidden Markov models (QHMMs). For that, we use the notions of transition operation matrices and vector states, which are an extension of classical stochastic matrices and probability distributions. Our main result is the Mealy QHMM formulation and proofs of algorithms needed for application of this model: Forward for general case and Vitterbi for a restricted class of QHMMs. We show the relations of the proposed model to other quantum HMM propositions and present an example of application.

  3. A Topological Phase Transition in Models of River Networks

    Science.gov (United States)

    Oppenheim, Jacob; Magnasco, Marcelo

    2012-02-01

    The classical Scheidegger model of river network formation and evolution is investigated on non-Euclidean geometries, which model the effects of regions of convergent and divergent flows - as seen around lakes and drainage off mountains, respectively. These new models may be differentiated by the number of basins formed. Using the divergence as an order parameter, we see a phase transition in the number of distinct basins at the point of a flat landscape. This is a surprising property of the statistics of river networks and suggests significantly different properties for riverine networks in uneven topography and vascular networks of arteries versus those of veins among others.

  4. Sabin-to-Mahoney Transition Model of Quasispecies Replication

    Energy Technology Data Exchange (ETDEWEB)

    2009-05-31

    Qspp is an agent-based stochastic simulation model of the Poliovirus Sabin-to-Mahoney transition. This code simulates a cell-to-cell model of Poliovirus replication. The model tracks genotypes (virus genomes) as they are replicated in cells, and as the cells burst and release particles into the medium of a culture dish. An inoculum is then taken from the pool of virions and is used to inoculate cells on a new dish. This process repeats. The Sabin genotype comprises the initial inoculum. Nucleotide positions that match the Sabin1 (vaccine strain) and Mahoney (wild type) genotypes, as well as the neurovirulent phenotype (from the literature) are enumerated as constants.

  5. Electrocrystallization of fibrous silver deposits from nitrate melts: Experiments and modeling

    Directory of Open Access Journals (Sweden)

    Murashova I.B.

    2003-01-01

    Full Text Available Fibrous silver deposits have been obtained in molten nitrates on a moving cathode. Cylindrical silver cathode was lifted from the melt AgNO3-NaNO3-KNO3. It is found that the dimensions of the silver threads as well as their shape and thickness depend on the electrolysis parameters: the values of current and velocity of the cathode lifting. Systematic study of the silver dendrite structure has been performed on a scanning electron microscope. Geometric characteristics have been evaluated statistically and regression equations linking these constitutive properties of the deposits with the values of current and of lifting velocity have been obtained. A criterion for the description of dendrite shape under different conditions is proposed.

  6. Influence of electron beam melting manufactured implants on ingrowth and shear strength in an ovine model.

    Science.gov (United States)

    Bertollo, Nicky; Da Assuncao, Ruy; Hancock, Nicholas J; Lau, Abe; Walsh, William R

    2012-09-01

    Arthroplasty has evolved with the application of electron beam melting (EBM) in the manufacture of porous mediums for uncemented fixation. Osseointegration of EBM and plasma-sprayed titanium (Ti PS) implant dowels in adult sheep was assessed in graduated cancellous defects and under line-to-line fit in cortical bone. Shear strength and bony ingrowth (EBM) and ongrowth (Ti PS) were assessed after 4 and 12 weeks. Shear strength of EBM exceeded that for Ti PS at 12 weeks (P = .030). Ongrowth achieved by Ti PS in graduated cancellous defects followed a distinctive pattern that correlated to progressively decreasing radial distances between defect and implant, whereas cancellous ingrowth values at 12 weeks for the EBM were not different. Osteoconductive porous structures manufactured using EBM present a viable alternative to traditional surface treatments. Copyright © 2012 Elsevier Inc. All rights reserved.

  7. Modelling systematics of ground-based transit photometry I. Implications on transit timing variations

    CERN Document Server

    von Essen, C; Mallonn, M; Tingley, B; Marcussen, M

    2016-01-01

    The transit timing variation technique (TTV) has been widely used to detect and characterize multiple planetary systems. Due to the observational biases imposed mainly by the photometric conditions and instrumentation and the high signal-to-noise required to produce primary transit observations, ground-based data acquired using small telescopes limit the technique to the follow-up of hot Jupiters. However, space-based missions such as Kepler and CoRoT have already revealed that hot Jupiters are mainly found in single systems. Thus, it is natural to question ourselves if we are properly using the observing time at hand carrying out such follow-ups, or if the use of medium-to-low quality transit light curves, combined with current standard techniques of data analysis, could be playing a main role against exoplanetary search via TTVs. The purpose of this work is to investigate to what extent ground-based observations treated with current modelling techniques are reliable to detect and characterize additional pla...

  8. Effects of water, depth and temperature on partial melting of mantle-wedge fluxed by hydrous sediment-melt in subduction zones

    Science.gov (United States)

    Mallik, Ananya; Dasgupta, Rajdeep; Tsuno, Kyusei; Nelson, Jared

    2016-12-01

    This study investigates the partial melting of variable bulk H2O-bearing parcels of mantle-wedge hybridized by partial melt derived from subducted metapelites, at pressure-temperature (P-T) conditions applicable to the hotter core of the mantle beneath volcanic arcs. Experiments are performed on mixtures of 25% sediment-melt and 75% fertile peridotite, from 1200 to 1300 °C, at 2 and 3 GPa, with bulk H2O concentrations of 4 and 6 wt.%. Combining the results from these experiments with previous experiments containing 2 wt.% bulk H2O (Mallik et al., 2015), it is observed that all melt compositions, except those produced in the lowest bulk H2O experiments at 3 GPa, are saturated with olivine and orthopyroxene. Also, higher bulk H2O concentration increases melt fraction at the same P-T condition, and causes exhaustion of garnet, phlogopite and clinopyroxene at lower temperatures, for a given pressure. The activity coefficient of silica (ϒSiO2) for olivine-orthopyroxene saturated melt compositions (where the activity of silica, aSiO2 , is buffered by the reaction olivine + SiO2 = orthopyroxene) from this study and from mantle melting studies in the literature are calculated. In melt compositions generated at 2 GPa or shallower, with increasing H2O concentration, ϒSiO2 increases from transition from non-ideal mixing as OH- in the melt (ϒSiO2 2 GPa, ϒSiO2 >1 at higher H2O concentrations in the melt, indicate requirement of excess energy to incorporate molecular H2O in the silicate melt structure, along with a preference for bridging species and polyhedral edge decorations. With vapor saturation in the presence of melt, ϒSiO2 decreases indicating approach towards ideal mixing of H2O in silicate melt. For similar H2O concentrations in the melt, ϒSiO2 for olivine-orthopyroxene saturated melts at 3 GPa is higher than melts at 2 GPa or shallower. This results in melts generated at 3 GPa being more silica-poor than melts at 2 GPa. Thus, variable bulk H2O and pressure of

  9. Nonequilibrium stationary states and phase transitions in directed Ising models

    Science.gov (United States)

    Godrèche, Claude; Bray, Alan J.

    2009-12-01

    We study the nonequilibrium properties of directed Ising models with non-conserved dynamics, in which each spin is influenced by only a subset of its nearest neighbours. We treat the following models: (i) the one-dimensional chain; (ii) the two-dimensional square lattice; (iii) the two-dimensional triangular lattice and (iv) the three-dimensional cubic lattice. We raise and answer the question: (a) under what conditions is the stationary state described by the equilibrium Boltzmann-Gibbs distribution? We show that, for models (i), (ii) and (iii), in which each spin 'sees' only half of its neighbours, there is a unique set of transition rates, namely with exponential dependence in the local field, for which this is the case. For model (iv), we find that any rates satisfying the constraints required for the stationary measure to be Gibbsian should satisfy detailed balance, ruling out the possibility of directed dynamics. We finally show that directed models on lattices of coordination number z>=8 with exponential rates cannot accommodate a Gibbsian stationary state. We conjecture that this property extends to any form of the rates. We are thus led to the conclusion that directed models with Gibbsian stationary states only exist in dimensions one and two. We then raise the question: (b) do directed Ising models, augmented by Glauber dynamics, exhibit a phase transition to a ferromagnetic state? For the models considered above, the answers are open problems, with the exception of the simple cases (i) and (ii). For Cayley trees, where each spin sees only the spins further from the root, we show that there is a phase transition provided the branching ratio, q, satisfies q>=3.

  10. Compositional zonation of the shallow La Gloria pluton (Central Chile) by late-stage extraction/redistribution of residual melts by channelization: Numerical modeling

    Science.gov (United States)

    Aravena, A.; Gutiérrez, F. J.; Parada, M. A.; Payacán, Í.; Bachmann, O.; Poblete, F.

    2017-07-01

    The origin of highly evolved magmas (e.g. rhyolites) has been a long-standing controversy in earth sciences. They are commonly thought to be generated in the upper crust by melt extraction from mush zones, but due to the rapid cooling of magma reservoirs in such shallow and typically cold environments, high magma emplacement rates of intermediate magmas are thought to be necessary to maintain large silicic mushes above the solidus long enough for the high-SiO2 melts extraction to occur. Late-stage redistribution of interstitial melts (i.e. heat and mass) by channels/dikes within those mushes has been invoked as a mechanism to preserve silicic mushes above their solidi for longer periods (i.e. delaying their final crystallization), but the nature of this process and its implications on plutons zonation are still poorly understood. Here, using time-dependent numerical modeling, we study the feasibility of late-stage interstitial melt extraction/redistribution by channels/dikes from a crystalline mush. Our model accounts for magma fluid dynamics, extraction of residual melts and thermal evolution of the crystallizing magma system and its hosting rocks, considering the thermal effect of the redistributing material. The model was applied to explain the anatomy of the well-documented La Gloria pluton (LGP, Central Chile), which exhibits increasing contents of SiO2 and abundant leucocratic dikes toward the margins, interpreted as trapped residual melts generated elsewhere in the magma chamber. Our results suggest that favorable conditions for extracting late-stage residual melts are reached at temperatures of 750 °C (60 vol% crystallinity), at least for compositions similar to LGP dikes. Simulations correspond to 30 kyr of reservoir cooling, when the concentric compositional zonation of LGP is reproduced after a short period of extraction (< 15 kyr) and outward redistribution of silicic melt, with an extracted mass fraction of up to 0.17. An inward growing crystal

  11. Phase transitions in the $sdg$ interacting boson model

    CERN Document Server

    Van Isacker, P; Zerguine, S

    2009-01-01

    A geometric analysis of the $sdg$ interacting boson model is performed. A coherent-state is used in terms of three types of deformation: axial quadrupole ($\\beta_2$), axial hexadecapole ($\\beta_4$) and triaxial ($\\gamma_2$). The phase-transitional structure is established for a schematic $sdg$ hamiltonian which is intermediate between four dynamical symmetries of U(15), namely the spherical ${\\rm U}(5)\\otimes{\\rm U}(9)$, the (prolate and oblate) deformed ${\\rm SU}_\\pm(3)$ and the $\\gamma_2$-soft SO(15) limits. For realistic choices of the hamiltonian parameters the resulting phase diagram has properties close to what is obtained in the $sd$ version of the model and, in particular, no transition towards a stable triaxial shape is found.

  12. Comparison of approximations to the transition rate in the DDHMS preequilibrium model

    Energy Technology Data Exchange (ETDEWEB)

    Brito, L.; Carlson, B.V., E-mail: britoluc@ita.br [Instituto Tecnologia de Aeronautica (ITA), Sao Jose dos Campos, SP (Brazil)

    2014-07-01

    The double differential hybrid Monte Carlo simulation model (DDHMS) originally used exciton model densities and transition densities with approximate angular distributions obtained using linear momentum conservation. Because the model uses only the simplest transition rates, calculations using more complex approximations to these are still viable. We compare calculations using the original approximation to one using a nonrelativistic Fermi gas transition densities with the approximate angular distributions and with exact nonrelativistic and relativistic transition transition densities. (author)

  13. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  14. Electroweak Phase Transitions in left-right symmetric models

    CERN Document Server

    Barenboim, G; Barenboim, Gabriela; Rius, Nuria

    1998-01-01

    We study the finite-temperature effective potential of minimal left-right symmetric models containing a bidoublet and two triplets in the scalar sector. We perform a numerical analysis of the parameter space compatible We perform a numerical analysis of the parameter space compatible with the requirement that baryon asymmetry is not washed out by sphaleron processes after the electroweak phase transition. We find that the spectrum of scalar particles for these acceptable cases is consistent with present experimental bounds.

  15. Jamming transitions in force-based models for pedestrian dynamics

    CERN Document Server

    Chraibi, Mohcine; Tordeux, Antoine; Nishinari, Katsuhiro; Schadschneider, Andreas; Seyfried, Armin

    2015-01-01

    Force-based models describe pedestrian dynamics in analogy to classical mechanics by a system of second order ordinary differential equations. By investigating the linear stability of two main classes of forces, parameter regions with unstable homogeneous states are identified. In this unstable regime it is then checked whether phase transitions or stop-and-go waves occur. Results based on numerical simulations show, however, that the investigated models lead to unrealistic behavior in form of backwards moving pedestrians and overlapping. This is one reason why stop-and-go waves have not been observed in these models. The unrealistic behavior is not related to the numerical treatment of the dynamic equations but rather indicates an intrinsic problem of this model class. Identifying the underlying generic problems gives indications how to define models that do not show such unrealistic behavior. As an example we introduce a new force-based model which produces realistic jam dynamics without the appearance of u...

  16. Employment, Production and Consumption model: Patterns of phase transitions

    Science.gov (United States)

    Lavička, H.; Lin, L.; Novotný, J.

    2010-04-01

    We have simulated the model of Employment, Production and Consumption (EPC) using Monte Carlo. The EPC model is an agent based model that mimics very basic rules of industrial economy. From the perspective of physics, the nature of the interactions in the EPC model represents multi-agent interactions where the relations among agents follow the key laws for circulation of capital and money. Monte Carlo simulations of the stochastic model reveal phase transition in the model economy. The two phases are the phase with full unemployment and the phase with nearly full employment. The economy switches between these two states suddenly as a reaction to a slight variation in the exogenous parameter, thus the system exhibits strong non-linear behavior as a response to the change of the exogenous parameters.

  17. Energy efficient engine: Turbine transition duct model technology report

    Science.gov (United States)

    Leach, K.; Thurlin, R.

    1982-01-01

    The Low-Pressure Turbine Transition Duct Model Technology Program was directed toward substantiating the aerodynamic definition of a turbine transition duct for the Energy Efficient Engine. This effort was successful in demonstrating an aerodynamically viable compact duct geometry and the performance benefits associated with a low camber low-pressure turbine inlet guide vane. The transition duct design for the flight propulsion system was tested and the pressure loss goal of 0.7 percent was verified. Also, strut fairing pressure distributions, as well as wall pressure coefficients, were in close agreement with analytical predictions. Duct modifications for the integrated core/low spool were also evaluated. The total pressure loss was 1.59 percent. Although the increase in exit area in this design produced higher wall loadings, reflecting a more aggressive aerodynamic design, pressure profiles showed no evidence of flow separation. Overall, the results acquired have provided pertinent design and diagnostic information for the design of a turbine transition duct for both the flight propulsion system and the integrated core/low spool.

  18. Phase transitions in community detection: A solvable toy model

    Science.gov (United States)

    Ver Steeg, Greg; Moore, Cristopher; Galstyan, Aram; Allahverdyan, Armen

    2014-05-01

    Recently, it was shown that there is a phase transition in the community detection problem. This transition was first computed using the cavity method, and has been proved rigorously in the case of q = 2 groups. However, analytic calculations using the cavity method are challenging since they require us to understand probability distributions of messages. We study analogous transitions in the so-called “zero-temperature inference” model, where this distribution is supported only on the most likely messages. Furthermore, whenever several messages are equally likely, we break the tie by choosing among them with equal probability, corresponding to an infinitesimal random external field. While the resulting analysis overestimates the thresholds, it reproduces some of the qualitative features of the system. It predicts a first-order detectability transition whenever q > 2 (as opposed to q > 4 according to the finite-temperature cavity method). It also has a regime analogous to the “hard but detectable” phase, where the community structure can be recovered, but only when the initial messages are sufficiently accurate. Finally, we study a semisupervised setting where we are given the correct labels for a fraction ρ of the nodes. For q > 2, we find a regime where the accuracy jumps discontinuously at a critical value of ρ.

  19. Hot-melt extruded filaments based on pharmaceutical grade polymers for 3D printing by fused deposition modeling.

    Science.gov (United States)

    Melocchi, Alice; Parietti, Federico; Maroni, Alessandra; Foppoli, Anastasia; Gazzaniga, Andrea; Zema, Lucia

    2016-07-25

    Fused deposition modeling (FDM) is a 3D printing technique based on the deposition of successive layers of thermoplastic materials following their softening/melting. Such a technique holds huge potential for the manufacturing of pharmaceutical products and is currently under extensive investigation. Challenges in this field are mainly related to the paucity of adequate filaments composed of pharmaceutical grade materials, which are needed for feeding the FDM equipment. Accordingly, a number of polymers of common use in pharmaceutical formulation were evaluated as starting materials for fabrication via hot melt extrusion of filaments suitable for FDM processes. By using a twin-screw extruder, filaments based on insoluble (ethylcellulose, Eudragit(®) RL), promptly soluble (polyethylene oxide, Kollicoat(®) IR), enteric soluble (Eudragit(®) L, hydroxypropyl methylcellulose acetate succinate) and swellable/erodible (hydrophilic cellulose derivatives, polyvinyl alcohol, Soluplus(®)) polymers were successfully produced, and the possibility of employing them for printing 600μm thick disks was demonstrated. The behavior of disks as barriers when in contact with aqueous fluids was shown consistent with the functional application of the relevant polymeric components. The produced filaments were thus considered potentially suitable for printing capsules and coating layers for immediate or modified release, and, when loaded with active ingredients, any type of dosage forms.

  20. Windows to Other Worlds: Modeling Systems in Transit

    Science.gov (United States)

    Scott, Erin L.

    We present light curves and best-fit models of three very different transiting systems: the extended ring system of J1407b, the transiting circumsecondary disk of OGLE-LMC-ECL-11893, and the transiting hot Neptune GJ 436b. We have performed model fits using chi² minimization on the light curves of each of these objects, and present conjectures as to their structures. For J1407, we find an extended flat debris disk of optical depth tau = 3 with four outer rings of optical depths tau1 = 0.1, tau2 = 0.9, tau3 = 0.5, and tau4 = 0.7 (with Ring 1 being the closest in to the main disk and Ring 4 being the farthest out), with the outermost ring extending to 45 RNȯ . The disk is inclined at thetax = 5° along the line of sight and thetay = 10° orthogonal to the line of sight, with the secondary in an orbit of i = 89.964° (0.036° from edge-on, for our assumed period of 9862 days). For OGLE 11893, we find a flat debris disk of uniform optical depth tau = 1.8, with an inner radius of 26.2 RNȯ , an outer radius of 45.8 RNȯ , thetax = 2.0°, theta y = 7.0°, and an orbital inclination of i = 89.38°. For GJ 436 b, we find a planet with radius 4.19+/-0.17 RN⊕ in the photometric g band (4100-5500A), 3.95+/-0.39 RN⊕ in the H band (15000-18000A), and 3.94+/-0.39 RN⊕ in the K band (20000-24000A). The program evolved significantly over the course of its implementation. In addition to implementing the simplex fitting algorithm, I added rings to the debris disk and model the ability to vary the density power lay and dust opacity of the accretion disk, in addition to taking the environmental influences such as Hill radius and silicate dust sublimation radius into account. The program was written first in C++ and later re-written in Python in order to take advantage of a pre-existing planetary transit model (Parviainen, 2015), and can model transit phenomena ranging from eclipsing binaries to circumsecondary disks.

  1. Phase transitions in the lattice model of intercalation

    Directory of Open Access Journals (Sweden)

    T.S. Mysakovych

    2008-12-01

    Full Text Available The lattice model which can be employed for the description of intercalation of ions in crystals is considered in this work. Pseudospin formalism is used in describing the interaction of electrons with ions. The possibility of hopping of intercalated ions between different positions is taken into account. The thermodynamics of the model is investigated in the mean field approximation. Phase diagrams are built. It is shown that at high values of the parameter of ion transfer, the phase transition to a modulated phase disappears.

  2. Efficient Estimation of Non-Linear Dynamic Panel Data Models with Application to Smooth Transition Models

    DEFF Research Database (Denmark)

    Gørgens, Tue; Skeels, Christopher L.; Wurtz, Allan

    This paper explores estimation of a class of non-linear dynamic panel data models with additive unobserved individual-specific effects. The models are specified by moment restrictions. The class includes the panel data AR(p) model and panel smooth transition models. We derive an efficient set of ...... Carlo experiment. We find that estimation of the parameters in the transition function can be problematic but that there may be significant benefits in terms of forecast performance....... of moment restrictions for estimation and apply the results to estimation of panel smooth transition models with fixed effects, where the transition may be determined endogenously. The performance of the GMM estimator, both in terms of estimation precision and forecasting performance, is examined in a Monte...

  3. Modelling of Kelvin-Helmholtz instability and splashing of melt layers from plasma-facing components in tokamaks under plasma impact

    Science.gov (United States)

    Miloshevsky, G. V.; Hassanein, A.

    2010-11-01

    Plasma-facing components (PFCs) in tokamaks are exposed to high-heat loads during abnormal events such as plasma disruptions and edge-localized modes. The most significant erosion and plasma contamination problem is macroscopic melt splashes and losses from metallic divertor plates and wall materials into core plasma. The classical linear stability analysis is used to assess the initial conditions for development and growth of surface waves at the plasma-liquid metal interface. The maximum velocity difference and critical wavelengths are predicted. The effects of plasma density, surface tension and magnetic field on the stability of plasma-liquid tungsten flows are analytically investigated. The numerical modelling predicts that macroscopic motion and melt-layer losses involve the onset of disturbances on the surface of the tungsten melt layer with relatively long wavelengths compared with the melt thickness, the formation of liquid tungsten ligaments at wave crests and their elongation by the plasma stream with splitting of the bulk of the melt, and the development of extremely long, thin threads that eventually break into liquid droplets. Ejection of these droplets in the form of fine spray can lead to significant plasma contamination and enhanced erosion of PFCs. The numerical results advance the current understanding of the physics involved in the mechanism of melt-layer breakdown and droplet generation processes. These findings may also have implications for free surface liquid metal flows considered as the first wall in the design of several types of future fusion reactors.

  4. Coupling stable isotope and satellite to inform a snow accumulation and melt model for data poor, semi-arid watersheds

    Science.gov (United States)

    Hublart, Paul; Sproles, Eric; Soulsby, Chris; Tetzlaff, Doerthe; Hevía, Andres

    2016-04-01

    At the most basic level watersheds catch, store, and release water. In semi-arid northern central Chile (29°-32°) snow and glacier melt dominate these basic hydrological stages. In this region precipitation is typically limited to three to five events per year that falls as snow in the High Cordillera at elevations above 3000 m a.s.l. The rugged topography and steep gradient makes snowfall rates highly variable in space and time. Despite its critical importance for water supply, high elevation meteorological data and measurements of snowpack are scarce due to limited winter access above 3000 m a.s.l. Due to the critically limited understanding of catch, store, and release processes most conceptual watershed models for this region remain speculative, are prone to over-parameterization, and greatly inhibits hydrological prediction in the region. Focused on two headwater watersheds of the Elqui River basin (1615-6040 m a.s.l., 429-566 km2) this study couples stable isotope and Moderate Resolution Imaging Spectrometer (MODIS) data to develop an improved conceptual model of how semi-arid mountain watersheds catch, store, and release water. MODIS snow-cover and land surface temperature data are used to inform an enhanced temperature-index Snow Accumulation and Melt (SAM) model. The use of remotely-sensed temperature data as input to this model is evaluated by comparison with an interpolated dataset derived from a few available meteorological stations. The outputs from the SAM model are used as inputs to a conceptual catchment model including two water stores (one standing for surface/subsurface processes and the other for deeper groundwater storage). The model is calibrated and evaluated from a Bayesian perspective using discharge data measured at the catchment outlets over a 15-year period (2000-2015). Stable isotope data collected during 2015-2016 is applied to better constrain model outputs. The combination of MODIS-based and isotope-based information proves very

  5. Greenland ice sheet hydrology: insights from an isotope mixing model during the 2011 and 2012 melt seasons

    Science.gov (United States)

    Linhoff, B.; Charette, M. A.; Butler, C. E.; Tedstone, A.; Cowton, T.; Sole, A. J.; Nienow, P. W.; Wadham, J. L.

    2012-12-01

    The Greenland Ice Sheet (GrIS) is the Northern Hemisphere's largest terrestrial permanent ice mass. Each summer, subglacial drainage systems are altered by sustained inputs of meltwater from the ice sheet surface (Bartholomew et al., 2010). Prior to the development of an efficient subglacial channel system, constrained and inefficient meltwater flow paths at the glacier-bed interface cause hydrological forcing that results in the fastest annual rates of acceleration. However, most land terminating glaciers in Greenland slow down appreciably after the development of an efficient subglacial hydrological system. We used naturally-occurring radioactive and stable isotopes (7Be, 222Rn, 18O, D) as passive flow tracers to construct a high-resolution time series model of meltwater sourced from recent surface snow, glacial ice and delayed-flow basal meltwater during 2011 and 2012. Our field site is Leverett Glacier, a large outlet glacier (600 km2) on the western Greenland margin that discharges through a single, large proglacial river. Our isotope mixing model is complemented by concurrent stream discharge measurements that constrain the magnitude, timing, and routing of meltwater discharge. Furthermore, global positioning systems (GPS) were deployed within the catchment area to continuously measure changes in ice velocity. Our model results show diurnal changes in each meltwater component. Furthermore, we observe episodic outburst events of delayed-flow basal meltwater, snowmelt, and ice melt. The volume of delayed-flow basal meltwater co-varies with ice velocity during both diurnal cycles and episodic speed up and uplift events. For example in July 2011, a large ice uplift and acceleration event was preceded by a decrease in delayed-flow basal meltwater, followed by ice acceleration and a release of an abnormally large volume of delayed-flow basal meltwater. Similar analyses will be presented for the 2012 melt season, which included extreme ice melting conditions in July

  6. Digital herders and phase transition in a voting model

    CERN Document Server

    Hisakado, Masato

    2011-01-01

    In this paper, we discuss a voting model with two candidates, $C_1$ and $C_2$. We set two types of voters--herders and independents. The voting of independent voters is based on their fundamental values; on the other hand, the voting of herders is based on the number of votes. Herders always select the majority of the previous $r$ votes, which is visible to them. We call them digital herders. We can accurately calculate the distribution of votes for special cases. When $r\\geq 3$, we find that a phase transition occurs at the upper limit of $t$, where $t$ is the discrete time (or number of votes). As the fraction of herders increases, the model features a phase transition beyond which a state where most voters make the correct choice coexists with one where most of them are wrong. On the other hand, when $r<3$, there is no phase transition. In this case, the herder's performance is the same as that of the independent voters. At last, from the simple experiments, we recognize the behavior of human beings.

  7. Holographic picture of heavy vector meson melting

    Energy Technology Data Exchange (ETDEWEB)

    Braga, Nelson R.F.; Diles, Saulo [Universidade Federal do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro, RJ (Brazil); Martin Contreras, Miguel Angel [Universidad de los Andes, High Energy Group, Department of Physics, Bogota (Colombia)

    2016-11-15

    The fraction of heavy vector mesons produced in a heavy ion collision, as compared to a proton-proton collision, serves as an important indication of the formation of a thermal medium, the quark-gluon plasma. This sort of analysis strongly depends on understanding the thermal effects of a medium like the plasma on the states of heavy mesons. In particular, it is crucial to know the temperature ranges where they undergo a thermal dissociation, or melting. AdS/QCD models are know to provide an important tool for the calculation of hadronic masses, but in general are not consistent with the observation that decay constants of heavy vector mesons decrease with excitation level. It has recently been shown that this problem can be overcome using a soft wall background and introducing an extra energy parameter, through the calculation of correlation functions at a finite position of anti-de Sitter space. This approach leads to the evaluation of masses and decay constants of S wave quarkonium states with just one flavor dependent and one flavor independent parameter. Here we extend this more realistic model to finite temperatures and analyze the thermal behavior of the states 1S, 2S and 3S of bottomonium and charmonium. The corresponding spectral function exhibits a consistent picture for the melting of the states where, for each flavor, the higher excitations melt at lower temperatures. We estimate for these six states the energy ranges in which the heavy vector mesons undergo a transition from a well-defined peak in the spectral function to complete melting in the thermal medium. A very clear distinction between the heavy flavors emerges, with the bottomonium state Υ(1S) surviving a deconfinement transition at temperatures much larger than the critical deconfinement temperature of the medium. (orig.)

  8. Modeling texture transitions in cholesteric liquid crystal droplets

    Science.gov (United States)

    Selinger, Robin; Gimenez-Pinto, Vianney; Lu, Shin-Ying; Selinger, Jonathan; Konya, Andrew

    2012-02-01

    Cholesteric liquid crystals can be switched reversibly between planar and focal-conic textures, a property enabling their application in bistable displays, liquid crystal writing tablets, e-books, and color switching ``e-skins.'' To explore voltage-pulse induced switching in cholesteric droplets, we perform simulation studies of director dynamics in three dimensions. Electrostatics calculations are solved at each time step using an iterative relaxation method. We demonstrate that as expected, a low amplitude pulse drives the transition from planar to focal conic, while a high amplitude pulse drives the transition from focal conic back to the planar state. We use the model to explore the effects of droplet shape, aspect ratio, and anchoring conditions, with the goal of minimizing both response time and energy consumption.

  9. Octet to decuplet electromagnetic transition in a relativistic quark model

    CERN Document Server

    Ramalho, G

    2013-01-01

    We study the octet to decuplet baryon electromagnetic transitions using the covariant spectator quark model, and predict the transition magnetic dipole form factors for those involving the strange baryons. Utilizing SU(3) symmetry, the valence quark contributions are supplemented by the pion cloud dressing based on the one estimated in the $\\gamma^\\ast N \\to \\Delta$ reaction. Although the valence quark contributions are dominant in general, the pion cloud effects turn out to be very important to describe the experimental data. We also show that, other mesons besides the pion in particular the kaon, may be relevant for some reactions such as $\\gamma^\\ast \\Sigma^+ \\to \\Sigma^{*+}$, based on our analysis for the radiative decay widths of the strange decuplet baryons.

  10. A theoretical model of phase transitions in the human brain.

    Science.gov (United States)

    Jirsa, V K; Friedrich, R; Haken, H; Kelso, J A

    1994-01-01

    An experiment using a multisensor SQUID (superconducting quantum interference device) array was performed by Kelso and colleagues (1992) which combined information from three different sources: perception, motor response, and brain signals. When an acoustic stimulus frequency is changed systematically, a spontaneous transition in coordination occurs at a critical frequency in both motor behavior and brain signals. Qualitatively analogous transitions are known for physical and biological systems such as changes in the coordination of human hand movements (Kelso 1981, 1984). In this paper we develop a theoretical model based on methods from the interdisciplinary field of synergetics (Haken 1983, 1987) and nonlinear oscillator theory that reproduces the main experimental features very well and suggests a formulation of a fundamental biophysical coupling.

  11. The electroweak phase transition in minimal supergravity models

    CERN Document Server

    Nanopoulos, Dimitri V

    1994-01-01

    We have explored the electroweak phase transition in minimal supergravity models by extending previous analysis of the one-loop Higgs potential to include finite temperature effects. Minimal supergravity is characterized by two higgs doublets at the electroweak scale, gauge coupling unification, and universal soft-SUSY breaking at the unification scale. We have searched for the allowed parameter space that avoids washout of baryon number via unsuppressed anomalous Electroweak sphaleron processes after the phase transition. This requirement imposes strong constraints on the Higgs sector. With respect to weak scale baryogenesis, we find that the generic MSSM is {\\it not} phenomenologically acceptable, and show that the additional experimental and consistency constraints of minimal supergravity restricts the mass of the lightest CP-even Higgs even further to $m_h\\lsim 32\\GeV$ (at one loop), also in conflict with experiment. Thus, if supergravity is to allow for baryogenesis via any other mechanism above the weak...

  12. Phase transition in kinetic exchange opinion models with independence

    CERN Document Server

    Crokidakis, Nuno

    2014-01-01

    In this work we study the critical behavior of a three-state ($+1$, $-1$, $0$) opinion model with independence. Each agent has a probability $q$ to act as independent, i.e., he/she can choose his/her opinion independently of the opinions of the other agents. On the other hand, with the complementary probability $1-q$ the agent interacts with a randomly chosen individual through a kinetic exchange. Our analytical and numerical results show that the independence mechanism acts as a noise that induce an order-disorder transition at critical points $q_{c}$ that depend on the individuals' flexibility. For a special value of this flexibility the system undergoes a transition to an absorbing state with all opinions $0$.

  13. Measurement and modeling of the glass transition temperatures of multi-component solutions

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Binal N. [Department of Chemical and Environmental Engineering, University of Toledo, 2801 W. Bancroft Street, Toledo, OH 43606 (United States); Schall, Constance A. [Department of Chemical and Environmental Engineering, University of Toledo, 2801 W. Bancroft Street, Toledo, OH 43606 (United States)]. E-mail: cschall@eng.utoledo.edu

    2006-04-01

    Protein crystals are usually grown in multi-component aqueous solutions containing salts, buffers and other additives. To measure the X-ray diffraction data of the crystal, crystals are rapidly lowered to cryogenic temperatures. On flash cooling, ice frequently forms affecting the integrity of the sample. In order to eliminate this effect, substances called cryoprotectants are added to produce a glassy (vitrified) state rather than ice. Heretofore, the quantity of cryoprotectant needed to vitrify the sample has largely been established by trial and error. In this study, differential scanning calorimetry (DSC) was used to measure the melting (T {sub m}), devitrification (T {sub d}) and glass transition (T {sub g}) temperatures of solutions with a range of compositions typical of those used for growing protein crystals, with the addition of glycerol as cryoprotectant. The addition of cryoprotectant raises the T {sub g} and lowers the T {sub m} of bulk solution thereby decreasing the cooling rates required for vitrification of protein crystals. The theoretical T {sub g} value was calculated using the apparent volume fraction using the Miller/Fox equation extended for multi-component systems. The experimental values of T {sub g} were within approximately {+-}4% of that predicted by the model. Thus, the use of the model holds the promise of a rational method for the theoretical determination of the composition of cryoprotectant requirement of protein crystallization solutions.

  14. A coupled melt-freeze temperature index approach in a one-layer model to predict bulk volumetric liquid water content dynamics in snow

    Science.gov (United States)

    Avanzi, Francesco; Yamaguchi, Satoru; Hirashima, Hiroyuki; De Michele, Carlo

    2016-04-01

    Liquid water in snow rules runoff dynamics and wet snow avalanches release. Moreover, it affects snow viscosity and snow albedo. As a result, measuring and modeling liquid water dynamics in snow have important implications for many scientific applications. However, measurements are usually challenging, while modeling is difficult due to an overlap of mechanical, thermal and hydraulic processes. Here, we evaluate the use of a simple one-layer one-dimensional model to predict hourly time-series of bulk volumetric liquid water content in seasonal snow. The model considers both a simple temperature-index approach (melt only) and a coupled melt-freeze temperature-index approach that is able to reconstruct melt-freeze dynamics. Performance of this approach is evaluated at three sites in Japan. These sites (Nagaoka, Shinjo and Sapporo) present multi-year time-series of snow and meteorological data, vertical profiles of snow physical properties and snow melt lysimeters data. These data-sets are an interesting opportunity to test this application in different climatic conditions, as sites span a wide latitudinal range and are subjected to different snow conditions during the season. When melt-freeze dynamics are included in the model, results show that median absolute differences between observations and predictions of bulk volumetric liquid water content are consistently lower than 1 vol%. Moreover, the model is able to predict an observed dry condition of the snowpack in 80% of observed cases at a non-calibration site, where parameters from calibration sites are transferred. Overall, the analysis show that a coupled melt-freeze temperature-index approach may be a valid solution to predict average wetness conditions of a snow cover at local scale.

  15. Model Atmospheres and Transit Spectra for Hot Rocky Planets

    Science.gov (United States)

    Lupu, Roxana

    We propose to build a versatile set of self-consistent atmospheric models for hot rocky exoplanets and use them to predict their transit and eclipse spectra. Hot rocky exoplanets will form the majority of small planets in close-in orbits to be discovered by the TESS and Kepler K2 missions, and offer the best opportunity for characterization with current and future instruments. We will use fully non-grey radiative-convective atmospheric structure codes with cloud formation and vertical mixing, combined with a self-consistent treatment of gas chemistry above the magma ocean. Being in equilibrium with the surface, the vaporized rock material can be a good tracer of the bulk composition of the planet. We will derive the atmospheric structure and escape rates considering both volatile-free and volatile bearing compositions, which reflect the diversity of hot rocky planet atmospheres. Our models will inform follow- up observations with JWST and ground-based instruments, aid the interpretation of transit and eclipse spectra, and provide a better understanding of volatile loss in these atmospheres. Such results will help refine our picture of rocky planet formation and evolution. Planets in ultra-short period (USP) orbits are a special class of hot rocky exoplanets. As shown by Kepler, these planets are generally smaller than 2 Earth radii, suggesting that they are likely to be rocky and could have lost their volatiles through photo-evaporation. Being close to their host stars, these planets are ultra-hot, with estimated temperatures of 1000-3000 K. A number of USP planets have been already discovered (e.g. Kepler-78 b, CoRoT-7 b, Kepler-10 b), and this number is expected to grow by confirming additional planet candidates. The characterization of planets on ultra-short orbits is advantageous due to the larger number of observable transits, and the larger transit signal in the case of an evaporating atmosphere. Much advance has been made in understanding and characterizing

  16. Implicit Value Updating Explains Transitive Inference Performance: The Betasort Model.

    Directory of Open Access Journals (Sweden)

    Greg Jensen

    Full Text Available Transitive inference (the ability to infer that B > D given that B > C and C > D is a widespread characteristic of serial learning, observed in dozens of species. Despite these robust behavioral effects, reinforcement learning models reliant on reward prediction error or associative strength routinely fail to perform these inferences. We propose an algorithm called betasort, inspired by cognitive processes, which performs transitive inference at low computational cost. This is accomplished by (1 representing stimulus positions along a unit span using beta distributions, (2 treating positive and negative feedback asymmetrically, and (3 updating the position of every stimulus during every trial, whether that stimulus was visible or not. Performance was compared for rhesus macaques, humans, and the betasort algorithm, as well as Q-learning, an established reward-prediction error (RPE model. Of these, only Q-learning failed to respond above chance during critical test trials. Betasort's success (when compared to RPE models and its computational efficiency (when compared to full Markov decision process implementations suggests that the study of reinforcement learning in organisms will be best served by a feature-driven approach to comparing formal models.

  17. Field-calibrated model of melt, refreezing, and runoff for polar ice caps: Application to Devon Ice Cap

    Science.gov (United States)

    Morris, Richard M.; Mair, Douglas W. F.; Nienow, Peter W.; Bell, Christina; Burgess, David O.; Wright, Andrew P.

    2014-09-01

    Understanding the controls on the amount of surface meltwater that refreezes, rather than becoming runoff, over polar ice masses is necessary for modeling their surface mass balance and ultimately for predicting their future contributions to global sea level change. We present a modified version of a physically based model that includes an energy balance routine and explicit calculation of near-surface meltwater refreezing capacity, to simulate the evolution of near-surface density and temperature profiles across Devon Ice Cap in Arctic Canada. Uniquely, our model is initiated and calibrated using high spatial resolution measurements of snow and firn densities across almost the entire elevation range of the ice cap for the summer of 2004 and subsequently validated with the same type of measurements obtained during the very different meteorological conditions of summer 2006. The model captures the spatial variability across the transect in bulk snowpack properties although it slightly underestimates the flow of meltwater into the firn of previous years. The percentage of meltwater that becomes runoff is similar in both years; however, the spatial pattern of this melt-runoff relationship is different in the 2 years. The model is found to be insensitive to variation in the depth of impermeable layers within the firn but is very sensitive to variation in air temperature, since the refreezing capacity of firn decreases with increasing temperature. We highlight that the sensitivity of the ice cap's surface mass balance to air temperature is itself dependent on air temperature.

  18. Experimental Observation and Analytical Modeling of Melting and Solidification during Aluminum Alloy Repair by Turbulence Flow Casting

    Directory of Open Access Journals (Sweden)

    Muki Satya Permana

    2015-10-01

    Full Text Available This paper presents an overview on the state of the art of applicable casting technology for applications in the field of repairing aluminum alloy components. Repair process on the Al alloy sample using similar metal has been carried out to investigate the micro-structural effect. Joining occurs as a result of convection heat transfer of molten flow into the sand mold which melts the existing base metal inside the mold and subsequent solidification. The analytical model has been developed to describe aluminum alloy component repair by turbulence flow casting. The model is designed based on heat transfer principle that can handle the phenomena of heat flow. The experimental result and analytical model analyses pointed out that joint quality are greatly affected by parameters of preheating temperature and duration of molten metal flow in the mold. To obtain a desired metallurgical sound at the joint, the optimum temperature and time were adjusted in order to obtain a similarity of microstructure between filler and base metal. This model is aimed to predict the use of the process parameter ranges in order to have the optimum parameters when it is applied to the experiment. The fixed parameters are flow rate, sand ratio, and pouring temperature. The process parameters are preheating temperature and pouring time. It is concluded that analytical modeling has good agreement with the experimental result.

  19. Phase transition in a spatial Lotka-Volterra model

    Energy Technology Data Exchange (ETDEWEB)

    Szabo, Gyorgy; Czaran, Tamas

    2001-06-01

    Spatial evolution is investigated in a simulated system of nine competing and mutating bacterium strains, which mimics the biochemical war among bacteria capable of producing two different bacteriocins (toxins) at most. Random sequential dynamics on a square lattice is governed by very symmetrical transition rules for neighborhood invasions of sensitive strains by killers, killers by resistants, and resistants by sensitives. The community of the nine possible toxicity/resistance types undergoes a critical phase transition as the uniform transmutation rates between the types decreases below a critical value P{sub c} above that all the nine types of strains coexist with equal frequencies. Passing the critical mutation rate from above, the system collapses into one of three topologically identical (degenerated) states, each consisting of three strain types. Of the three possible final states each accrues with equal probability and all three maintain themselves in a self-organizing polydomain structure via cyclic invasions. Our Monte Carlo simulations support that this symmetry-breaking transition belongs to the universality class of the three-state Potts model.

  20. Phase transition in a spatial Lotka-Volterra model.

    Science.gov (United States)

    Szabó, G; Czárán, T

    2001-06-01

    Spatial evolution is investigated in a simulated system of nine competing and mutating bacterium strains, which mimics the biochemical war among bacteria capable of producing two different bacteriocins (toxins) at most. Random sequential dynamics on a square lattice is governed by very symmetrical transition rules for neighborhood invasions of sensitive strains by killers, killers by resistants, and resistants by sensitives. The community of the nine possible toxicity/resistance types undergoes a critical phase transition as the uniform transmutation rates between the types decreases below a critical value P(c) above that all the nine types of strains coexist with equal frequencies. Passing the critical mutation rate from above, the system collapses into one of three topologically identical (degenerated) states, each consisting of three strain types. Of the three possible final states each accrues with equal probability and all three maintain themselves in a self-organizing polydomain structure via cyclic invasions. Our Monte Carlo simulations support that this symmetry-breaking transition belongs to the universality class of the three-state Potts model.

  1. An Integrated Modeling System for Estimating Glacier and Snow Melt Driven Streamflow from Remote Sensing and Earth System Data Products in the Himalayas

    Science.gov (United States)

    Brown, M. E.; Racoviteanu, A. E.; Tarboton, D. G.; Sen Gupta, A.; Nigro, J.; Policelli, F.; Habib, S.; Tokay, M.; Shrestha, M. S.; Bajracharya, S.

    2014-01-01

    Quantification of the contribution of the hydrologic components (snow, ice and rain) to river discharge in the Hindu Kush Himalayan (HKH) region is important for decision-making in water sensitive sectors, and for water resources management and flood risk reduction. In this area, access to and monitoring of the glaciers and their melt outflow is challenging due to difficult access, thus modeling based on remote sensing offers the potential for providing information to improve water resources management and decision making. This paper describes an integrated modeling system developed using downscaled NASA satellite based and earth system data products coupled with in-situ hydrologic data to assess the contribution of snow and glaciers to the flows of the rivers in the HKH region. Snow and glacier melt was estimated using the Utah Energy Balance (UEB) model, further enhanced to accommodate glacier ice melt over clean and debris-covered tongues, then meltwater was input into the USGS Geospatial Stream Flow Model (Geo- SFM). The two model components were integrated into Better Assessment Science Integrating point and Nonpoint Sources modeling framework (BASINS) as a user-friendly open source system and was made available to countries in high Asia. Here we present a case study from the Langtang Khola watershed in the monsoon-influenced Nepal Himalaya, used to validate our energy balance approach and to test the applicability of our modeling system. The snow and glacier melt model predicts that for the eight years used for model evaluation (October 2003-September 2010), the total surface water input over the basin was 9.43 m, originating as 62% from glacier melt, 30% from snowmelt and 8% from rainfall. Measured streamflow for those years were 5.02 m, reflecting a runoff coefficient of 0.53. GeoSFM simulated streamflow was 5.31 m indicating reasonable correspondence between measured and model confirming the capability of the integrated system to provide a quantification

  2. An integrated modeling system for estimating glacier and snow melt driven streamflow from remote sensing and earth system data products in the Himalayas

    Science.gov (United States)

    Brown, M. E.; Racoviteanu, A. E.; Tarboton, D. G.; Gupta, A. Sen; Nigro, J.; Policelli, F.; Habib, S.; Tokay, M.; Shrestha, M. S.; Bajracharya, S.; Hummel, P.; Gray, M.; Duda, P.; Zaitchik, B.; Mahat, V.; Artan, G.; Tokar, S.

    2014-11-01

    Quantification of the contribution of the hydrologic components (snow, ice and rain) to river discharge in the Hindu Kush Himalayan (HKH) region is important for decision-making in water sensitive sectors, and for water resources management and flood risk reduction. In this area, access to and monitoring of the glaciers and their melt outflow is challenging due to difficult access, thus modeling based on remote sensing offers the potential for providing information to improve water resources management and decision making. This paper describes an integrated modeling system developed using downscaled NASA satellite based and earth system data products coupled with in-situ hydrologic data to assess the contribution of snow and glaciers to the flows of the rivers in the HKH region. Snow and glacier melt was estimated using the Utah Energy Balance (UEB) model, further enhanced to accommodate glacier ice melt over clean and debris-covered tongues, then meltwater was input into the USGS Geospatial Stream Flow Model (GeoSFM). The two model components were integrated into Better Assessment Science Integrating point and Nonpoint Sources modeling framework (BASINS) as a user-friendly open source system and was made available to countries in high Asia. Here we present a case study from the Langtang Khola watershed in the monsoon-influenced Nepal Himalaya, used to validate our energy balance approach and to test the applicability of our modeling system. The snow and glacier melt model predicts that for the eight years used for model evaluation (October 2003-September 2010), the total surface water input over the basin was 9.43 m, originating as 62% from glacier melt, 30% from snowmelt and 8% from rainfall. Measured streamflow for those years were 5.02 m, reflecting a runoff coefficient of 0.53. GeoSFM simulated streamflow was 5.31 m indicating reasonable correspondence between measured and model confirming the capability of the integrated system to provide a quantification of

  3. Singular value decomposition of 3-D DNA melting curves reveals complexity in the melting process.

    Science.gov (United States)

    Haq, I; Chowdhry, B Z; Chaires, J B

    1997-01-01

    The thermal denaturation of synthetic deoxypolynucleotides of defined sequence was studied by a three dimensional melting technique in which complete UV absorbance spectra were recorded as a function of temperature. The results of such an experiment defined a surface bounded by absorbance, wavelength, and temperature. A matrix of the experimental data was built, and analyzed by the method of singular value decomposition (SVD). SVD provides a rigorous, model-free analytical tool for evaluating the number of significant spectral species required to account for the changes in UV absorbance accompanying the duplex--to--single strand transition. For all of the polynucleotides studied (Poly dA-Poly dT; [Poly (dAdT)]2; Poly dG-Poly dC; [Poly(dGdC)]2), SVD indicated the existence of at least 4-5 significant spectral species. The DNA melting transition for even these simple repeating sequences cannot, therefore, be a simple two-state process. The basis spectra obtained by SVD analysis were found to be unique for each polynucleotide studied. Differential scanning calorimetry was used to obtain model free estimates for the enthalpy of melting for the polynucleotides studied, with results in good agreement with previously published values.

  4. Designing and modelling Havana’s future bus rapid transit

    OpenAIRE

    Warren, James; Ortegon-Sanchez, Adriana

    2015-01-01

    A single bus route in Havana’s bus system is modelled from the current position to a modernised bus rapid transit (BRT). The system is based on an expert-led visioning process and Cuba’s official planning documents, which define the high-level design criteria and their objectives. Building on the experiences of BRT systems that operate in other Latin American cities, a conceptual design for Havana’s BRT system is defined in terms of the key institutional, technical and financial frameworks, a...

  5. Approximate State Transition Matrix and Secular Orbit Model

    Directory of Open Access Journals (Sweden)

    M. P. Ramachandran

    2015-01-01

    Full Text Available The state transition matrix (STM is a part of the onboard orbit determination system. It is used to control the satellite’s orbital motion to a predefined reference orbit. Firstly in this paper a simple orbit model that captures the secular behavior of the orbital motion in the presence of all perturbation forces is derived. Next, an approximate STM to match the secular effects in the orbit due to oblate earth effect and later in the presence of all perturbation forces is derived. Numerical experiments are provided for illustration.

  6. Kinetic Relations for a Lattice Model of Phase Transitions

    Science.gov (United States)

    Schwetlick, Hartmut; Zimmer, Johannes

    2012-11-01

    The aim of this article is to analyse travelling waves for a lattice model of phase transitions, specifically the Fermi-Pasta-Ulam chain with piecewise quadratic interaction potential. First, for fixed, sufficiently large subsonic wave speeds, we rigorously prove the existence of a family of travelling wave solutions. Second, it is shown that this family of solutions gives rise to a kinetic relation which depends on the jump in the oscillatory energy in the solution tails. Third, our constructive approach provides a very good approximate travelling wave solution.

  7. A motivic approach to phase transitions in Potts models

    Science.gov (United States)

    Aluffi, Paolo; Marcolli, Matilde

    2013-01-01

    We describe an approach to the study of phase transitions in Potts models based on an estimate of the complexity of the locus of real zeros of the partition function, computed in terms of the classes in the Grothendieck ring of the affine algebraic varieties defined by the vanishing of the multivariate Tutte polynomial. We give completely explicit calculations for the examples of the chains of linked polygons and of the graphs obtained by replacing the polygons with their dual graphs. These are based on a deletion-contraction formula for the Grothendieck classes and on generating functions for splitting and doubling edges.

  8. Modelling conditional correlations of asset returns: A smooth transition approach

    DEFF Research Database (Denmark)

    Silvennoinen, Annastiina; Teräsvirta, Timo

    In this paper we propose a new multivariate GARCH model with time-varying conditional correlation structure. The time-varying conditional correlations change smoothly between two extreme states of constant correlations according to a predetermined or exogenous transition variable. An LM......-test is derived to test the constancy of correlations and LM- and Wald tests to test the hypothesis of partially constant correlations. Analytical expressions for the test statistics and the required derivatives are provided to make computations feasible. An empirical example based on daily return series of ve...... frequently traded stocks in the S&P 500 stock index completes the paper....

  9. THE BONUS-MALUS SYSTEM MODELLING USING THE TRANSITION MATRIX

    Directory of Open Access Journals (Sweden)

    SANDRA TEODORESCU

    2012-05-01

    Full Text Available The motor insurance is an important branch of non-life insurance in many countries; in some of them, coming first in total premium income category (in Romania, for example. The Bonus-Malus system implementation is one of the solutions chosen by the insurance companies in order to increase the efficiency in the motor insurance domain. This system has been recently introduced by the Romanian insurers as well. In this paper I present the means for modelling the bonus-malus system using the transition matrix.

  10. A data-constrained model for compatibility check of remotely sensed basal melting with the hydrography in front of Antarctic ice shelves

    Science.gov (United States)

    Olbers, D.; Hellmer, H. H.; Buck, F. F. J. H.

    2014-02-01

    The ice shelf caverns around Antarctica are sources of cold and fresh water which contributes to the formation of Antarctic bottom water and thus to the ventilation of the deep basins of the World Ocean. While a realistic simulation of the cavern circulation requires high resolution, because of the complicated bottom topography and ice shelf morphology, the physics of melting and freezing at the ice shelf base is relatively simple. We have developed an analytically solvable box model of the cavern thermohaline state, using the formulation of melting and freezing as in Olbers and Hellmer (2010). There is high resolution along the cavern's path of the overturning circulation whereas the cross-path resolution is fairly coarse. The circulation in the cavern is prescribed and used as a tuning parameter to constrain the solution by attempting to match observed ranges for outflow temperature and salinity at the ice shelf front as well as of the mean basal melt rate. The method, tested for six Antarctic ice shelves, can be used for a quick estimate of melt/freeze rates and the overturning rate in particular caverns, given the temperature and salinity of the inflow and the above mentioned constrains for outflow and melting. In turn, the model can also be used for testing the compatibility of remotely sensed basal mass loss with observed cavern inflow characteristics.

  11. Topological phase transition in the Scheidegger model of river networks

    Science.gov (United States)

    Oppenheim, Jacob N.; Magnasco, Marcelo O.

    2012-08-01

    Transport networks are found at the heart of myriad natural systems, yet are poorly understood, except for the case of river networks. The Scheidegger model, in which rivers are convergent random walks, has been studied only in the case of flat topography, ignoring the variety of curved geometries found in nature. Embedding this model on a cone, we find a convergent and a divergent phase, corresponding to few, long basins and many, short basins, respectively, separated by a singularity, indicating a phase transition. Quantifying basin shape using Hacks law l˜ah gives distinct values for h, providing a method of testing our hypotheses. The generality of our model suggests implications for vascular morphology, in particular, differing number and shapes of arterial and venous trees.

  12. On SU(3 Effective Models and Chiral Phase Transition

    Directory of Open Access Journals (Sweden)

    Abdel Nasser Tawfik

    2015-01-01

    Full Text Available Sensitivity of Polyakov Nambu-Jona-Lasinio (PNJL model and Polyakov linear sigma-model (PLSM has been utilized in studying QCD phase-diagram. From quasi-particle model (QPM a gluonic sector is integrated into LSM. The hadron resonance gas (HRG model is used in calculating the thermal and dense dependence of quark-antiquark condensate. We review these four models with respect to their descriptions for the chiral phase transition. We analyze the chiral order parameter, normalized net-strange condensate, and chiral phase-diagram and compare the results with recent lattice calculations. We find that PLSM chiral boundary is located in upper band of the lattice QCD calculations and agree well with the freeze-out results deduced from various high-energy experiments and thermal models. Also, we find that the chiral temperature calculated from HRG is larger than that from PLSM. This is also larger than the freeze-out temperatures calculated in lattice QCD and deduced from experiments and thermal models. The corresponding temperature and chemical potential are very similar to that of PLSM. Although the results from PNJL and QLSM keep the same behavior, their chiral temperature is higher than that of PLSM and HRG. This might be interpreted due the very heavy quark masses implemented in both models.

  13. Modelling Multivariate Autoregressive Conditional Heteroskedasticity with the Double Smooth Transition Conditional Correlation GARCH Model

    DEFF Research Database (Denmark)

    Silvennoinen, Annastiina; Teräsvirta, Timo

    In this paper we propose a multivariate GARCH model with a time-varying conditional correlation structure. The new Double Smooth Transition Conditional Correlation GARCH model extends the Smooth Transition Conditional Correlation GARCH model of Silvennoinen and Ter¨asvirta (2005) by including...... another variable according to which the correlations change smoothly between states of constant correlations. A Lagrange multiplier test is derived to test the constancy of correlations against the DSTCC-GARCH model, and another one to test for another transition in the STCC-GARCH framework. In addition......, other specification tests, with the aim of aiding the model building procedure, are considered. Analytical expressions for the test statistics and the required derivatives are provided. The model is applied to a selection of world stock indices, and it is found that time is an important factor affecting...

  14. Introducing Modeling Transition Diagrams as a Tool to Connect Mathematical Modeling to Mathematical Thinking

    Science.gov (United States)

    Czocher, Jennifer A.

    2016-01-01

    This study contributes a methodological tool to reconstruct the cognitive processes and mathematical activities carried out by mathematical modelers. Represented as Modeling Transition Diagrams (MTDs), individual modeling routes were constructed for four engineering undergraduate students. Findings stress the importance and limitations of using…

  15. GaInSn melt flow structure variation with crucible size in an isothermal electromagnetic stirring configuration

    Science.gov (United States)

    Negrila, Radu Andrei; Popescu, Alexandra; Vizman, Daniel

    2015-12-01

    Based on the idea of melt stirring from electromagnetic Czochralski method, a method for electromagnetic field stirring (EMF) of molten silicon was proposed for a rectangular melt: a configuration with two electrodes in contact with the melt surface in a vertical magnetic field. In order to understand the basic features of the melt flow in such a configuration time-dependent numerical computations were performed with STHAMAS3D for an isothermal model experiment in a rectangular crucible filled with a room temperature GaInSn melt, very similar with liquid silicon. Numerical parametrical studies were performed for different values of I and B using various crucible sizes, for a symmetrical electrode positioning along the diagonal of the free melt surface. The results have revealed that the flow structure can be described in terms of a vortex or a poloidal recirculation dominance or of a transition between the two. It was found that, for a larger crucible size, the transition from the vortex to the poloidal flow structure installs at higher current intensities than in the case of a smaller melt size. The results offer an understanding of the impact of the increase in melt volume on the flow structures and are therefore important for the upscaling of the melt geometry to sizes relevant for industrial application.

  16. A simple model for /f-->d transitions of rare-earth ions in crystals

    Science.gov (United States)

    Duan, C. K.; Reid, M. F.

    2003-02-01

    Theoretical simulation and interpretation of f→ d transitions of rare earth ions in crystals are more difficult than for f→ f transitions, because f→ d transitions involve many more energy levels and are further complicated by strong vibronic transitions, so the experimental spectra contain many fewer resolvable peaks. In order to better understand the structure of the spectra, a simple model is developed to take into account the main interactions in the fN-1 d configuration. This model leads to quantum numbers characterizing the states and the associated transition selection rules. Relative transition intensities can be quantitatively estimated. The model is applied to Eu 2+ and Sm 3+ ions in crystals.

  17. Glacier melt on the Third Pole

    Science.gov (United States)

    Yao, T.

    2015-12-01

    With an average elevation above 4,000 metres, the Third Pole (TP) is a unique region with many high mountains centered on the Tibetan Plateau stretching over 5 million square kilometers. Major environmental changes are taking place on the TP characterized by complex interactions of atmospheric, cryospheric, hydrological, geological and environmental processes. These processes are critical for the well-being of the three billion people inhabiting the plateau and the surrounding regions. Glacier melt is one of the most significant environmental changes observed on the TP. Over the past decade, most of the glaciers on the TP have undergone considerable melt. The Third Pole Environment (TPE) has focused on the causes of the glacier melt by conducting large-scale ground in-situ observation and monitoring, analyzing satellite images and remote sensing data, and applying numerical modeling to environmental research on the TP. The studies of long-term record of water stable isotopes in precipitation and ice core throughout the TP have revealed different features with regions, thus proposing significant influence of atmospheric circulations on spatial precipitation pattern over the TP. Validation of the result by isotope-equipped general circulation models confirms the spatial distribution of different atmospheric circulation dominances on the TP, with northern part dominated by the westerlies, southern part by the summer monsoon, and central part featuring the influences of both circulation systems. Such unique circulation patterns also bear directly on the status of glaciers and lakes over the TP and its surroundings. The studies therefore found the largest glacier melt in the monsoon-dominated southern part, moderate melt in the central part of transition, and the least melt, or even slight advance in the westerlies-dominated northern TP. It is clear that some mountains on the TP are undergoing rapid melt and the consequence of without ice and snow will be very soon. The

  18. Specification, Estimation and Evaluation of Vector Smooth Transition Autoregressive Models with Applications

    OpenAIRE

    Teräsvirta, Timo; Yang, Yukai

    2014-01-01

    We consider a nonlinear vector model called the logistic vector smooth transition autoregressive model. The bivariate single-transition vector smooth transition regression model of Camacho (2004) is generalised to a multivariate and multitransition one. A modelling strategy consisting of specification, including testing linearity, estimation and evaluation of these models is constructed. Nonlinear least squares estimation of the parameters of the model is discussed. Evaluation by misspecifica...

  19. Felsic Melt Generation at the MOR Magma Chamber Roof: Trace Element Evidence of Experimental Hydrous Partial Melts for Anatectic Processes at the East-Pacific Rise

    Science.gov (United States)

    Erdmann, M.; Fischer, L. A.; France, L.; Deloule, E.; Koepke, J.

    2013-12-01

    Felsic lithologies in oceanic crust environment are volumetrically small but occur frequently. Based on experimental and geochemical studies, different models for their generation are suggested, as fractional crystallization, partial melting of mafic lithologies, and liquid immiscibility. Geochemical studies on felsic lithologies from fast-spreading ridge systems imply that partial melting of previously hydrothermally altered mafic lithologies at the gabbro/dike transitions may play an important role (e.g., Wanless et al., 2010). For a detailed study of this process, we simulated experimentally anatexis at the gabbro/dike transition. In order to evaluate the potential of MORB contamination by anatectic melts, trace elements of the experimental melts were analyzed in-situ by applying secondary ion mass spectrometry (SIMS). As starting material we used rock powder (125-200 μm) of different hydrothermally altered dikes and basaltic hornfelses (so-called granoblastic dikes) from the base of the sheeted dike complex of the IODP site 1256 (East-Pacific Rise, EPR). Such lithologies are assumed to undergo partial melting due to an upward moving of the axial melt lens after replenishment, while granoblastic lithologies are regarded as restitic material of anatectic processes (France et al., 2010). Partial melting experiments under water-saturated conditions were performed in internally heated pressure vessels (IHPV) under conditions similar to those prevailing at the base of the sheeted dike complex (i.e. 100 MPa, 910 to 1030°C, fO2=ΔQFM+1). Our results show that melting of altered basalt with melt fractions less than 20 % (corresponding to temperatures ≤ 970°C) exhibit residual phases perfectly matching those observed in basalts with granoblastic texture (i.e. clinopyroxene, orthopyroxene, plagioclase, magnetite). Anatectic melts of these low degree melting experiments show trace element pattern which are very similar to those of natural dacites from the EPR

  20. Specificity in transition state binding: the Pauling model revisited.

    Science.gov (United States)

    Amyes, Tina L; Richard, John P

    2013-03-26

    Linus Pauling proposed that the large rate accelerations for enzymes are caused by the high specificity of the protein catalyst for binding the reaction transition state. The observation that stable analogues of the transition states for enzymatic reactions often act as tight-binding inhibitors provided early support for this simple and elegant proposal. We review experimental results that support the proposal that Pauling's model provides a satisfactory explanation for the rate accelerations for many heterolytic enzymatic reactions through high-energy reaction intermediates, such as proton transfer and decarboxylation. Specificity in transition state binding is obtained when the total intrinsic binding energy of the substrate is significantly larger than the binding energy observed at the Michaelis complex. The results of recent studies that aimed to characterize the specificity in binding of the enolate oxygen at the transition state for the 1,3-isomerization reaction catalyzed by ketosteroid isomerase are reviewed. Interactions between pig heart succinyl-coenzyme A:3-oxoacid coenzyme A transferase (SCOT) and the nonreacting portions of coenzyme A (CoA) are responsible for a rate increase of 3 × 10(12)-fold, which is close to the estimated total 5 × 10(13)-fold enzymatic rate acceleration. Studies that partition the interactions between SCOT and CoA into their contributing parts are reviewed. Interactions of the protein with the substrate phosphodianion group provide an ~12 kcal/mol stabilization of the transition state for the reactions catalyzed by triosephosphate isomerase, orotidine 5'-monophosphate decarboxylase, and α-glycerol phosphate dehydrogenase. The interactions of these enzymes with the substrate piece phosphite dianion provide a 6-8 kcal/mol stabilization of the transition state for reaction of the appropriate truncated substrate. Enzyme activation by phosphite dianion reflects the higher dianion affinity for binding to the enzyme-transition

  1. REVISED k-ε TURBULENCE MODEL IN ELECTROMAGNETIC CONTINUOUS CASTING OF MELT

    Institute of Scientific and Technical Information of China (English)

    H.F. Huo; B.K. Li

    2003-01-01

    The research is motivated by the ongoing the electromagnetic continuous casting of molten metal. The revised k-ε model considering the effect of magnetic field application was derived. The specific model equations for the electromagnetic braking were used to calculate the velocity distribution in the continuous casting mold of steel. The results show that the revised k-ε model considering the effect of magnetic field application tends to suppress the production of turbulence and difference between the conventional and revised k-ε model is small.

  2. Abrupt transitions to tumor extinction: a phenotypic quasispecies model.

    Science.gov (United States)

    Sardanyés, Josep; Martínez, Regina; Simó, Carles; Solé, Ricard

    2016-10-06

    The dynamics of heterogeneous tumor cell populations competing with healthy cells is an important topic in cancer research with deep implications in biomedicine. Multitude of theoretical and computational models have addressed this issue, especially focusing on the nature of the transitions governing tumor clearance as some relevant model parameters are tuned. In this contribution, we analyze a mathematical model of unstable tumor progression using the quasispecies framework. Our aim is to define a minimal model incorporating the dynamics of competition between healthy cells and a heterogeneous population of cancer cell phenotypes involving changes in replication-related genes (i.e., proto-oncogenes and tumor suppressor genes), in genes responsible for genomic stability, and in house-keeping genes. Such mutations or loss of genes result into different phenotypes with increased proliferation rates and/or increased genomic instabilities. Despite bifurcations in the classical deterministic quasispecies model are typically given by smooth, continuous shifts (i.e., transcritical bifurcations), we here identify a novel type of bifurcation causing an abrupt transition to tumor extinction. Such a bifurcation, named as trans-heteroclinic, is characterized by the exchange of stability between two distant fixed points (that do not collide) involving tumor persistence and tumor clearance. The increase of mutation and/or the decrease of the replication rate of tumor cells involves this catastrophic shift of tumor cell populations. The transient times near bifurcation thresholds are also characterized, showing a power law dependence of exponent [Formula: see text] of the transients as mutation is changed near the bifurcation value. These results are discussed in the context of targeted cancer therapy as a possible therapeutic strategy to force a catastrophic shift by simultaneously delivering mutagenic and cytotoxic drugs inside tumor cells.

  3. Test of the vibrational modelling for the λ-type transitions: Application to the α-β quartz transition

    Science.gov (United States)

    Castex, Joëlle; Madon, Michel

    1995-02-01

    Vibrational modelling is at the present time the only known way to predict the heat capacities of the Earth's mantle minerals at high-pressure and high-temperature. To test the validity of this method for λ-type transitions, we have applied it to the α-β quartz transition ( T 0=846±1 K). Raman spectra of quartz were recorded up to 900 K. Measured frequency shifts of the α-quartz Raman modes were then used in conjunction with available high-pressure Raman data to calculate intrinsic mode anharmonicity, through the parameter a i=(∂Lnvi/∂T)v. Vibrational modelling of the heat capacity at constant volume, Cv, and at constant pressure, Cp, including anharmonic corrections deduced from the a i parameters, are compared to experimental data. Taking into account the soft-mode associated to the α-β quartz transition, the model reproduces the excess of Cp related to the transition. Then, this study confirms that detecting a soft-mode from vibrational data allows one to predict λ-type transitions. However, when modelling the thermodynamic properties, the contribution of a soft-mode cannot be established from spectroscopic data. Therefore, one needs first to determine this contribution in order to predict the heat capacities of Earth's mantle minerals displaying λ-type transitions. In α-quartz, this contribution has been determined as 0.007% of the total number of the optic modes in the model of the density of states.

  4. Modelling of the isothermal replication of surface microstructures in polymer melts

    DEFF Research Database (Denmark)

    Rasmussen, Henrik Koblitz; Eriksson, Torbjörn Gerhard

    2005-01-01

    The forming of micro surface structures on polymer materials is well established in polymer-processing operations. Numerical flow calculations were performed using the Lagrangian Integral Method where the fluid was described by a MSF constitutive model. The numerical modelling of the flow was per...

  5. Demographic model of the Neolithic transition in Central Europe

    Directory of Open Access Journals (Sweden)

    Patrik Galeta

    2009-12-01

    Full Text Available Several recent lines of evidence indicate more intensive contact between LBK farmers and indigenous foragers in Central Europe (5600–5400 calBC. Strong continuity has been identified between Mesolithic and Neolithic material cultures; faunal assemblages, and isotopic analyses of diet have revealed a greater role of hunting in LBK communities; genetic analyses have suggested that the modern Central European gene pool is mainly of Palaeolithic origin. Surprisingly little attention has been paid to demographic aspects of the Neolithic transition. In our study, demographic simulations were performed to assess the demographic conditions that would allow LBK farmers to spread across central Europe without any admixture with Mesolithic foragers. We constructed a stochastic demographic model of changes in farming population size. Model parameters were constrained by data from human demography, archaeology, and human ecology. Our results indicate that the establishment of farming communities in Central Europe without an admixture with foragers was highly improbable. The demographic conditions necessary for colonization were beyond the potential of the Neolithic population. Our study supports the integrationists’ view of the Neolithic transition in Central Europe.

  6. Transit Model of Planets with Moon and Ring System

    CERN Document Server

    Tusnski, Luis Ricardo M; 10.1088/0004-637X/743/1/97

    2011-01-01

    Since the discovery of the first exoplanets, those most adequate for life to begin and evolve have been sought. Due to observational bias, however, most of the discovered planets so far are gas giants, precluding their habitability. However, if these hot Jupiters are located in the habitable zones of their host stars, and if rocky moons orbit them, then these moons may be habitable. In this work, we present a model for planetary transit simulation considering the presence of moons and planetary rings around a planet. The moon's orbit is considered to be circular and coplanar with the planetary orbit. The other physical and orbital parameters of the star, planet, moon, and rings can be adjusted in each simulation. It is possible to simulate as many successive transits as desired. Since the presence of spots on the surface of the star may produce a signal similar to that of the presence of a moon, our model also allows for the inclusion of starspots. The result of the simulation is a light curve with a planetar...

  7. Dynamics of the oil transition: Modeling capacity, depletion, and emissions

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, Adam R. [Department of Energy Resources Engineering, Green Earth Sciences 065, 367 Panama St., Stanford University, Stanford, CA 94305-2220 (United States); Plevin, Richard J. [Energy and Resources Group, 310 Barrows Hall, University of California Berkeley, Berkeley, CA 94720-3050 (United States); Farrell, Alexander E. [Department of Energy Resources Engineering, Green Earth Sciences 065, 367 Panama St., Stanford University, Stanford, CA 94305-2220 (United States); Energy and Resources Group, 310 Barrows Hall, University of California Berkeley, Berkeley, CA 94720-3050 (United States)

    2010-07-15

    The global petroleum system is undergoing a shift to substitutes for conventional petroleum (SCPs). The Regional Optimization Model for Emissions from Oil Substitutes, or ROMEO, models this oil transition and its greenhouse gas impacts. ROMEO models the global liquid fuel market in an economic optimization framework, but in contrast to other models it solves each model year sequentially, with investment and production optimized under uncertainty about future prevailing prices or resource quantities. ROMEO includes more hydrocarbon resource types than integrated assessment models of climate change. ROMEO also includes the carbon intensities and costs of production of these resources. We use ROMEO to explore the uncertainty of future costs, emissions, and total fuel production under a number of scenarios. We perform sensitivity analysis on the endowment of conventional petroleum and future carbon taxes. Results show incremental emissions from production of oil substitutes of {approx} 0-30 gigatonnes (Gt) of carbon over the next 50 years (depending on the carbon tax). Also, demand reductions due to the higher cost of SCPs could reduce or eliminate these increases. Calculated emissions are highly sensitive to the endowment of conventional oil and less sensitive to a carbon tax. (author)

  8. Census Model Transition: Contributions to its Implementation in Portugal

    Directory of Open Access Journals (Sweden)

    Dias Carlos A.

    2016-03-01

    Full Text Available Given the high cost and complexity of traditional censuses, some countries have started to change the census process. Following this trend, Portugal is also evaluating a new census model as an alternative to an exhaustive collection of all statistical units. The main motivations for the implementation of this census model transition in Portugal are related to the decrease in statistical burden on citizens, improvements in the frequency of outputs, and the reduction of collection costs associated with census operations. This article seeks to systematise and critically review all alternatives to the traditional census methodologies, presenting their advantages and disadvantages and the countries that use them. As a result of the comparison, we conclude that the methods that best meet these objectives are those that use administrative data, either in whole or in part. We also present and discuss the results of an inventory and evaluation of administrative registers in Portugal with the potential to produce statistical census information.

  9. Modeling Tiered Pricing in the Internet Transit Market

    CERN Document Server

    Valancius, Vytautas; Feamster, Nick; Johari, Ramesh; Vazirani, Vijay V

    2011-01-01

    ISPs are increasingly selling "tiered" contracts, which offer Internet connectivity to wholesale customers in bundles, at rates based on the cost of the links that the traffic in the bundle is traversing. Although providers have already begun to implement and deploy tiered pricing contracts, little is known about how such pricing affects ISPs and their customers. While contracts that sell connectivity on finer granularities improve market efficiency, they are also more costly for ISPs to implement and more difficult for customers to understand. In this work we present two contributions: (1) we develop a novel way of mapping traffic and topology data to a demand and cost model; and (2) we fit this model on three large real-world networks: an European transit ISP, a content distribution network, and an academic research network, and run counterfactuals to evaluate the effects of different pricing strategies on both the ISP profit and the consumer surplus. We highlight three core findings. First, ISPs gain most ...

  10. Excited-state quantum phase transition in the Rabi model

    Science.gov (United States)

    Puebla, Ricardo; Hwang, Myung-Joong; Plenio, Martin B.

    2016-08-01

    The Rabi model, a two-level atom coupled to a harmonic oscillator, can undergo a second-order quantum phase transition (QPT) [M.-J. Hwang et al., Phys. Rev. Lett. 115, 180404 (2015), 10.1103/PhysRevLett.115.180404]. Here we show that the Rabi QPT accompanies critical behavior in the higher-energy excited states, i.e., the excited-state QPT (ESQPT). We derive analytic expressions for the semiclassical density of states, which show a logarithmic divergence at a critical energy eigenvalue in the broken symmetry (superradiant) phase. Moreover, we find that the logarithmic singularities in the density of states lead to singularities in the relevant observables in the system such as photon number and atomic polarization. We corroborate our analytical semiclassical prediction of the ESQPT in the Rabi model with its numerically exact quantum mechanical solution.

  11. Chiral transition, eigenmode localisation and Anderson-like models

    CERN Document Server

    Giordano, Matteo; Pittler, Ferenc

    2016-01-01

    We discuss chiral symmetry restoration and eigenmode localisation in finite-temperature QCD by looking at the lattice Dirac operator as a random Hamiltonian. We argue that the features of QCD relevant to both phenomena are the presence of order in the Polyakov line configuration, and the correlations that this induces between spatial links across time slices. This ties the fate of chiral symmetry and of localisation of the lowest Dirac eigenmodes to the confining properties of the theory. We then show numerical results obtained in a QCD-inspired Anderson-like toy model, derived by radically simplifying the QCD dynamics while keeping the important features mentioned above. The toy model reproduces all the important qualitative aspects of chiral symmetry breaking and localisation in QCD, thus supporting the central role played by the confinement/deconfinement transition in triggering both phenomena.

  12. Dynamical phase transition in a simple model of competing shops

    CERN Document Server

    Lambert, Gaultier; Bertin, Eric

    2011-01-01

    We consider a simple model in which a set of agents randomly visit one of two competing shops selling the same perishable products (typically food). The satisfaction of agents with respect to a given store is related to the freshness of the previously bought products. Agents then choose with a higher probability the store they are most satisfied with. Studying the model both through numerical simulations and mean-field analytical methods, we find a rich behaviour with continuous and discontinuous phase transitions between a symmetric phase where both stores maintain the same level of activity, and a phase with broken symmetry where one of the two shops attracts more customers than the other.

  13. An Anderson-like model of the QCD chiral transition

    CERN Document Server

    Giordano, Matteo; Pittler, Ferenc

    2016-01-01

    We study the problems of chiral symmetry breaking and eigenmode localisation in finite-temperature QCD by looking at the lattice Dirac operator as a random Hamiltonian. We recast the staggered Dirac operator into an unconventional three-dimensional Anderson Hamiltonian ("Dirac-Anderson Hamiltonian") carrying internal degrees of freedom, with disorder provided by the fluctuations of the gauge links. In this framework, we identify the features relevant to chiral symmetry restoration and localisation of the low-lying Dirac eigenmodes in the ordering of the local Polyakov lines, and in the related correlation between spatial links across time slices, thus tying the two phenomena to the deconfinement transition. We then build a toy model based on QCD and on the Dirac-Anderson approach, replacing the Polyakov lines with spin variables and simplifying the dynamics of the spatial gauge links, but preserving the above-mentioned relevant dynamical features. Our toy model successfully reproduces the main features of the...

  14. Chiral Phase Transition at Finite Isospin Density in Linear Sigma Model

    Institute of Scientific and Technical Information of China (English)

    SHU Song; LI Jia-Rong

    2005-01-01

    Using the linear sigma model, we have introduced the pion isospin chemical potential. The chiral phase transition is studied at finite temperatures and finite isospin densities. We have studied the μ - T phase diagram for the chiral phase transition and found the transition cannot happen below a certain low temperature because of the BoseEinstein condensation in this system. Above that temperature, the chiral phase transition is studied by the isotherms of pressure versus density. We indicate that the transition, in the chiral limit, is a first-order transition from a low-density phase to a high-density phase like a gas-liquid phase transition.

  15. Rheology of Polydisperse Star Polymer Melts: Extension of the parameter-free tube model of Milner and McLeish to arbitrary arm-length polydispersity

    NARCIS (Netherlands)

    Slot, J.J.M.; Steeman, Paul A.M.

    2005-01-01

    This paper considers the extension of the parameter-free tube model of Milner and McLeish for stress relaxation in melts of monodisperse star polymers to star polymers whose arms have a continuous molecular weight distribution such as the Flory distribution in the case of star-nylons and

  16. Melting of the quark condensate in the NJL model with meson loops

    Energy Technology Data Exchange (ETDEWEB)

    Florkowski, W.; Broniowski, W. [Institute of Nuclear Physics, Cracow (Poland)

    1996-05-01

    Temperature dependence of the quark condensate is studied in the Nambu-Jona-Lasinio model with meson loops. Substantial differences are found compared to the results with quark loop only. (author). 13 refs, 3 figs.

  17. Two-component mantle melting-mixing model for the generation of mid-ocean ridge basalts: Implications for the volatile content of the Pacific upper mantle

    Science.gov (United States)

    Shimizu, Kei; Saal, Alberto E.; Myers, Corinne E.; Nagle, Ashley N.; Hauri, Erik H.; Forsyth, Donald W.; Kamenetsky, Vadim S.; Niu, Yaoling

    2016-03-01

    We report major, trace, and volatile element (CO2, H2O, F, Cl, S) contents and Sr, Nd, and Pb isotopes of mid-ocean ridge basalt (MORB) glasses from the Northern East Pacific Rise (NEPR) off-axis seamounts, the Quebrada-Discovery-GoFar (QDG) transform fault system, and the Macquarie Island. The incompatible trace element (ITE) contents of the samples range from highly depleted (DMORB, Th/La ⩽ 0.035) to enriched (EMORB, Th/La ⩾ 0.07), and the isotopic composition spans the entire range observed in EPR MORB. Our data suggest that at the time of melt generation, the source that generated the EMORB was essentially peridotitic, and that the composition of NMORB might not represent melting of a single upper mantle source (DMM), but rather mixing of melts from a two-component mantle (depleted and enriched DMM or D-DMM and E-DMM, respectively). After filtering the volatile element data for secondary processes (degassing, sulfide saturation, assimilation of seawater-derived component, and fractional crystallization), we use the volatiles to ITE ratios of our samples and a two-component mantle melting-mixing model to estimate the volatile content of the D-DMM (CO2 = 22 ppm, H2O = 59 ppm, F = 8 ppm, Cl = 0.4 ppm, and S = 100 ppm) and the E-DMM (CO2 = 990 ppm, H2O = 660 ppm, F = 31 ppm, Cl = 22 ppm, and S = 165 ppm). Our two-component mantle melting-mixing model reproduces the kernel density estimates (KDE) of Th/La and 143Nd/144Nd ratios for our samples and for EPR axial MORB compiled from the literature. This model suggests that: (1) 78% of the Pacific upper mantle is highly depleted (D-DMM) while 22% is enriched (E-DMM) in volatile and refractory ITE, (2) the melts produced during variable degrees of melting of the E-DMM controls most of the MORB geochemical variation, and (3) a fraction (∼65% to 80%) of the low degree EMORB melts (produced by ∼1.3% melting) may escape melt aggregation by freezing at the base of the oceanic lithosphere, significantly enriching it in

  18. Transition in, Transition out: a sustainable model to engage first year students in learning. A Practice Report

    Directory of Open Access Journals (Sweden)

    Andrea Chester

    2013-08-01

    Full Text Available Peer mentoring, presented as an inclusive teaching approach, embedded in the curriculum, has been successfully implemented to support first year student learning. Developing sustainable and scalable models for large first year cohorts, however, provides a challenge. The Transition in, Transition out model is a sustainable peer mentoring model supporting the transition of both first and final year students. The model has been implemented in two Australian psychology programs, one face-to-face and one delivered online. The focus in this Practice Report will be on the outcome data for on-campus first year student at one university. Participants were 231 first year students (166 females and 65 males. Results suggest positive changes in academic performance and learning approaches as well as positive endorsement of the model.

  19. Modelling and simulation of the ice melting process on a current-carrying conductor

    Energy Technology Data Exchange (ETDEWEB)

    Peter, Z.

    2006-07-01

    Mathematical models were developed to determine the current and energy requirements for thermal de-icing and ice prevention on overhead power transmission lines. The models were based on the Joule effect under various meteorological and current transmission conditions. The minimum current intensity required to inhibit ice formation on a single power line conductor was determined. Correction factors were then introduced for 3 specific aluminum conductors with steel reinforcement (ACSRs). Water runback on the conductor surface was considered as well as deviation of the water layer from the thermal equilibrium state. Model results were in good agreement with measurements taken in an icing research wind tunnel. The overall heat transfer coefficient (HTC) for stranded conductors was then assessed to complete the model. A computational model using finite differences was also developed to calculate the current and energy requirements for de-icing partially ice covered conductors. Joule heating by AC current and impulse current were the 2 heating techniques analyzed. Thermal conductivity of the ACSR conductor was also estimated. Experimentally validated analytical approaches were proposed to determine the shedding time and corresponding energy required to de-ice a completely ice covered conductor by heating with increased nominal AC current. It was concluded that ice accretion on a single power line can be prevented using the experimentally validated mathematical models that calculate the current and energy requirements of de-icing conductors.

  20. A new model for broadband waveguide-to-microstrip transition design

    Science.gov (United States)

    Ponchak, George E.; Downey, Alan N.

    1988-01-01

    A new model is presented which permits the prediction of the resonant frequencies created by antipodal finline waveguide to microstrip transitions. The transition is modeled as a tapered transmission line in series with an infinite set of coupled resonant circuits. The resonant circuits are modeled as simple microwave resonant cavities of which the resonant frequencies are easily determined. The model is developed and the resonant frequencies determined for several different transitions. Experimental results are given to confirm the models.